N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine

C19H30N2 — CID 64521861

IUPACN'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine
SMILESCCNC(CCN(CC1CC1)C1CC1)c1ccccc1C
InChIInChI=1S/C19H30N2/c1-3-20-19(18-7-5-4-6-15(18)2)12-13-21(17-10-11-17)14-16-8-9-16/h4-7,16-17,19-20H,3,8-14H2,1-2H3
InChIKeyKPVWSEILJQMQPQ-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.91
Rot. Bonds9

About N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine

N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine (PubChem CID 64521861) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine
PubChem CID64521861
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine
SMILESCCNC(CCN(CC1CC1)C1CC1)c1ccccc1C
InChIInChI=1S/C19H30N2/c1-3-20-19(18-7-5-4-6-15(18)2)12-13-21(17-10-11-17)14-16-8-9-16/h4-7,16-17,19-20H,3,8-14H2,1-2H3
InChIKeyKPVWSEILJQMQPQ-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-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

N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 62629425
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62630254
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495351
1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol
CID 62623092
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608
N'-cyclopropyl-N-ethyl-1-(2-fluorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62642973
N'-cyclopropyl-N-ethyl-1-phenyl-N'-propylpropane-1,3-diamine
CID 62612116
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908
2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol
CID 62631147
[1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol
CID 62630396
N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63633032

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine (CID 64521861) is N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine is CCNC(CCN(CC1CC1)C1CC1)c1ccccc1C.
What is the InChIKey of N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine?
The InChIKey is KPVWSEILJQMQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-20-19(18-7-5-4-6-15(18)2)12-13-21(17-10-11-17)14-16-8-9-16/h4-7,16-17,19-20H,3,8-14H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine?
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine has a molecular weight of 286.46 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 64521861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).