2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine

C14H32N4 — CID 118876014

IUPAC2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine
SMILESCC(N)CNCC1CCC(CNC(C)CN)CC1
InChIInChI=1S/C14H32N4/c1-11(16)8-17-9-13-3-5-14(6-4-13)10-18-12(2)7-15/h11-14,17-18H,3-10,15-16H2,1-2H3
InChIKeyPGVYOMUCTKCMKD-UHFFFAOYSA-N
MW256.44 g/mol
LogP0.67
Rot. Bonds8

About 2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine

2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine (PubChem CID 118876014) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is 2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine
PubChem CID118876014
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine
SMILESCC(N)CNCC1CCC(CNC(C)CN)CC1
InChIInChI=1S/C14H32N4/c1-11(16)8-17-9-13-3-5-14(6-4-13)10-18-12(2)7-15/h11-14,17-18H,3-10,15-16H2,1-2H3
InChIKeyPGVYOMUCTKCMKD-UHFFFAOYSA-N
XLogP0.67
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine 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

2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine
CID 103389347
1-N-(cyclopentylmethyl)propane-1,2-diamine
CID 115196604
2-N-(thian-4-ylmethyl)propane-1,2-diamine
CID 103391033
(2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine
CID 104867709
2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine
CID 14795132
2-(cyclopropylmethylamino)propan-1-ol
CID 43560365
1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine
CID 123270508
(2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine
CID 104867674
1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine
CID 61150629
1-N-(cyclopropylmethyl)butane-1,3-diamine
CID 61151017
2-cyclopropyl-N-(cyclopropylmethyl)propan-1-amine
CID 78921560
1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 146382593

Frequently Asked Questions

What is the IUPAC name of 2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine?
The IUPAC name of 2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine (CID 118876014) is 2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine is CC(N)CNCC1CCC(CNC(C)CN)CC1.
What is the InChIKey of 2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine?
The InChIKey is PGVYOMUCTKCMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-11(16)8-17-9-13-3-5-14(6-4-13)10-18-12(2)7-15/h11-14,17-18H,3-10,15-16H2,1-2H3.
What are the key properties of 2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine?
2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine has a molecular weight of 256.44 g/mol, XLogP of 0.67, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 118876014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).