1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine

C17H36N2 — CID 79859524

IUPAC1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine
SMILESCCCNC1C(N(CC)CC(C)CC)CCC1(C)C
InChIInChI=1S/C17H36N2/c1-7-12-18-16-15(10-11-17(16,5)6)19(9-3)13-14(4)8-2/h14-16,18H,7-13H2,1-6H3
InChIKeyDXJURRFVOZLZIN-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds8

About 1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine

1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine (PubChem CID 79859524) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine
PubChem CID79859524
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine
SMILESCCCNC1C(N(CC)CC(C)CC)CCC1(C)C
InChIInChI=1S/C17H36N2/c1-7-12-18-16-15(10-11-17(16,5)6)19(9-3)13-14(4)8-2/h14-16,18H,7-13H2,1-6H3
InChIKeyDXJURRFVOZLZIN-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-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-ethyl-2-N,3,3-trimethyl-1-N-(2-methylbutyl)cyclohexane-1,2-diamine
CID 79829289
1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine
CID 79859970
1-N-(cyclobutylmethyl)-1-N-ethyl-3,3-dimethyl-2-N-propylcyclohexane-1,2-diamine
CID 107398176
1-N-cyclopropyl-3,3-dimethyl-1-N-(2-methylpropyl)-2-N-propylcyclopentane-1,2-diamine
CID 79860298
1-N-[2-(dimethylamino)ethyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine
CID 79860080
6-[ethyl(2-methylbutyl)amino]-2,2-dimethylcyclohexan-1-ol
CID 79847016
2-N-ethyl-2-N-(2-methylpropyl)-1-N-propylcyclooctane-1,2-diamine
CID 63467359
3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 79836033
1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine
CID 79859850
2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine
CID 79478118
N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine
CID 79865601
1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-2-ol
CID 79855488

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine (CID 79859524) is 1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine is CCCNC1C(N(CC)CC(C)CC)CCC1(C)C.
What is the InChIKey of 1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine?
The InChIKey is DXJURRFVOZLZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-12-18-16-15(10-11-17(16,5)6)19(9-3)13-14(4)8-2/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine?
1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine is sourced from PubChem (CID 79859524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).