3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine

C17H36N2 — CID 79644162

IUPAC3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine
SMILESCCCNC1CCC(N(CC(C)C)C(CC)CC)C1
InChIInChI=1S/C17H36N2/c1-6-11-18-15-9-10-17(12-15)19(13-14(4)5)16(7-2)8-3/h14-18H,6-13H2,1-5H3
InChIKeyLKMOBKDMUCMFDM-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.05
Rot. Bonds9

About 3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine

3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine (PubChem CID 79644162) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine
PubChem CID79644162
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine
SMILESCCCNC1CCC(N(CC(C)C)C(CC)CC)C1
InChIInChI=1S/C17H36N2/c1-6-11-18-15-9-10-17(12-15)19(13-14(4)5)16(7-2)8-3/h14-18H,6-13H2,1-5H3
InChIKeyLKMOBKDMUCMFDM-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol
CID 114763071
3-N-cyclopropyl-3-N-methyl-1-N-propylcyclopentane-1,3-diamine
CID 79643528
2-N-cyclopropyl-2-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 62429365
4-N-butan-2-yl-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine
CID 114762837
N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79489086
1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
CID 62429378
2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine
CID 81004629
1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine
CID 79643078
1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine
CID 79617939
1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol
CID 79122269
4-N-(2-ethylbutyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 82925922
1-N-ethyl-1-N-(2-ethylbutyl)-3-N-propylcyclohexane-1,3-diamine
CID 79631157

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine?
The IUPAC name of 3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine (CID 79644162) is 3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine is CCCNC1CCC(N(CC(C)C)C(CC)CC)C1.
What is the InChIKey of 3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine?
The InChIKey is LKMOBKDMUCMFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-11-18-15-9-10-17(12-15)19(13-14(4)5)16(7-2)8-3/h14-18H,6-13H2,1-5H3.
What are the key properties of 3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine?
3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine is sourced from PubChem (CID 79644162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).