4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine

C18H30N2 — CID 43829791

IUPAC4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine
SMILESC=C(C)CC(N)(CN(CCC)CCC)c1ccccc1
InChIInChI=1S/C18H30N2/c1-5-12-20(13-6-2)15-18(19,14-16(3)4)17-10-8-7-9-11-17/h7-11H,3,5-6,12-15,19H2,1-2,4H3
InChIKeyGPUFBGWOOZEEAY-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.93
Rot. Bonds9

About 4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine

4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine (PubChem CID 43829791) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine
PubChem CID43829791
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine
SMILESC=C(C)CC(N)(CN(CCC)CCC)c1ccccc1
InChIInChI=1S/C18H30N2/c1-5-12-20(13-6-2)15-18(19,14-16(3)4)17-10-8-7-9-11-17/h7-11H,3,5-6,12-15,19H2,1-2,4H3
InChIKeyGPUFBGWOOZEEAY-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-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

1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine
CID 43829790
1-N-[2-(dimethylamino)ethyl]-2-phenyl-1-N-propylpropane-1,2-diamine
CID 62487058
2-amino-2-phenylpentan-1-ol
CID 61056433
1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 116695800
2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile
CID 116692474
1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol
CID 62374488
3-phenylhexan-3-amine
CID 60794511
2-(4-chlorophenyl)-1-N,1-N-dipropylpent-4-ene-1,2-diamine
CID 43830878
1-N,1-N-diethyl-2,3-diphenylpropane-1,2-diamine
CID 43829798
1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine
CID 43829720
2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine
CID 43829541
2-amino-N-(2-hydroxyethyl)-2-phenyl-N-propylpropanamide
CID 62487886

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine?
The IUPAC name of 4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine (CID 43829791) is 4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine.
What is the SMILES notation for 4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine?
The canonical SMILES for 4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine is C=C(C)CC(N)(CN(CCC)CCC)c1ccccc1.
What is the InChIKey of 4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine?
The InChIKey is GPUFBGWOOZEEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-12-20(13-6-2)15-18(19,14-16(3)4)17-10-8-7-9-11-17/h7-11H,3,5-6,12-15,19H2,1-2,4H3.
What are the key properties of 4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine?
4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine is sourced from PubChem (CID 43829791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).