3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine

C17H36N2 — CID 63470267

IUPAC3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine
SMILESCCCNC(CCC)C(CC)N(CC)C1CCCC1
InChIInChI=1S/C17H36N2/c1-5-11-16(18-14-6-2)17(7-3)19(8-4)15-12-9-10-13-15/h15-18H,5-14H2,1-4H3
InChIKeyYCNGCOSWUKIAEC-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.20
Rot. Bonds10

About 3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine

3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine (PubChem CID 63470267) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine.

Molecular Properties

Compound Name3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine
PubChem CID63470267
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine
SMILESCCCNC(CCC)C(CC)N(CC)C1CCCC1
InChIInChI=1S/C17H36N2/c1-5-11-16(18-14-6-2)17(7-3)19(8-4)15-12-9-10-13-15/h15-18H,5-14H2,1-4H3
InChIKeyYCNGCOSWUKIAEC-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-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

3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine
CID 43423216
3-N-(4-ethylcyclohexyl)-3-N-methyl-4-N-propylheptane-3,4-diamine
CID 63467967
2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine
CID 83043017
2-N-cyclopentyl-2-N-ethyl-1-N-methylpentane-1,2-diamine
CID 83054821
1-N-cyclopentyl-1-N-ethyl-2-N-propylbutane-1,2-diamine
CID 62038216
3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]-4-N-propylheptane-3,4-diamine
CID 55258814
1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 107505386
3-N-ethyl-3-N-(2-methylbutyl)-4-N-propylheptane-3,4-diamine
CID 79476940
2-N-cyclohexyl-2-N-ethyl-1-N-propylbutane-1,2-diamine
CID 62423025
3-(2-cyclobutylethoxy)-N-propylheptan-4-amine
CID 106201007
3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine
CID 105414347
3-cyclohexylsulfinyl-N-propylheptan-4-amine
CID 64654358

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine?
The IUPAC name of 3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine (CID 63470267) is 3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine.
What is the SMILES notation for 3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine?
The canonical SMILES for 3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine is CCCNC(CCC)C(CC)N(CC)C1CCCC1.
What is the InChIKey of 3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine?
The InChIKey is YCNGCOSWUKIAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-11-16(18-14-6-2)17(7-3)19(8-4)15-12-9-10-13-15/h15-18H,5-14H2,1-4H3.
What are the key properties of 3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine?
3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine is sourced from PubChem (CID 63470267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).