butane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine

C26H61N5P2 — CID 144563986

IUPACbutane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine
SMILESCC.CCCC.CN.CN(C)P.CN(P)CCCNc1ccc(C2CCCC2)cc1.CNC
InChIInChI=1S/C15H25N2P.C4H10.C2H8NP.C2H7N.C2H6.CH5N/c1-17(18)12-4-11-16-15-9-7-14(8-10-15)13-5-2-3-6-13;1-3-4-2;1-3(2)4;1-3-2;2*1-2/h7-10,13,16H,2-6,11-12,18H2,1H3;3-4H2,1-2H3;4H2,1-2H3;3H,1-2H3;1-2H3;2H2,1H3
InChIKeyPLRBHDWUKXTCSG-UHFFFAOYSA-N
MW505.76 g/mol
LogP6.45
Rot. Bonds7

About butane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine

butane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine (PubChem CID 144563986) has the molecular formula C26H61N5P2 and a molecular weight of 505.76 g/mol. Its IUPAC name is butane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine.

Molecular Properties

Compound Namebutane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine
PubChem CID144563986
Molecular FormulaC26H61N5P2
Molecular Weight505.76 g/mol
Exact Mass505.44
IUPAC Namebutane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine
SMILESCC.CCCC.CN.CN(C)P.CN(P)CCCNc1ccc(C2CCCC2)cc1.CNC
InChIInChI=1S/C15H25N2P.C4H10.C2H8NP.C2H7N.C2H6.CH5N/c1-17(18)12-4-11-16-15-9-7-14(8-10-15)13-5-2-3-6-13;1-3-4-2;1-3(2)4;1-3-2;2*1-2/h7-10,13,16H,2-6,11-12,18H2,1H3;3-4H2,1-2H3;4H2,1-2H3;3H,1-2H3;1-2H3;2H2,1H3
InChIKeyPLRBHDWUKXTCSG-UHFFFAOYSA-N
XLogP6.45
TPSA56.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.76
LogP ≤ 56.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze butane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 3069993
N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine
CID 3069986
N'-(4-cyclohexylphenyl)butane-1,4-diamine
CID 115200971
N'-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 82493726
N'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine
CID 96675502
N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline
CID 115215489
4-amino-N-[4-(butylamino)phenyl]-3-cyclohexylpyrazole-1-carboxamide
CID 154652738
N'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine
CID 107402188
2-[(4-cyclohexylanilino)methyl]butanenitrile
CID 115253486
4-cyclopentyl-N,N-dimethylaniline
CID 54506338
N-chloro-4-cyclopentylaniline
CID 156634921
1-(4-cyclohexylphenyl)-N-methylpentan-1-amine
CID 43484983

Frequently Asked Questions

What is the IUPAC name of butane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine?
The IUPAC name of butane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine (CID 144563986) is butane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine.
What is the SMILES notation for butane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine?
The canonical SMILES for butane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine is CC.CCCC.CN.CN(C)P.CN(P)CCCNc1ccc(C2CCCC2)cc1.CNC.
What is the InChIKey of butane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine?
The InChIKey is PLRBHDWUKXTCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N2P.C4H10.C2H8NP.C2H7N.C2H6.CH5N/c1-17(18)12-4-11-16-15-9-7-14(8-10-15)13-5-2-3-6-13;1-3-4-2;1-3(2)4;1-3-2;2*1-2/h7-10,13,16H,2-6,11-12,18H2,1H3;3-4H2,1-2H3;4H2,1-2H3;3H,1-2H3;1-2H3;2H2,1H3.
What are the key properties of butane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine?
butane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine has a molecular weight of 505.76 g/mol, XLogP of 6.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine is sourced from PubChem (CID 144563986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).