N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine

C17H36N2 — CID 79490291

IUPACN-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine
SMILESCCC(CC)N(CCCNC1CCCC1)CC(C)C
InChIInChI=1S/C17H36N2/c1-5-17(6-2)19(14-15(3)4)13-9-12-18-16-10-7-8-11-16/h15-18H,5-14H2,1-4H3
InChIKeyPAABFASTBGGFRY-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds10

About N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine

N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine (PubChem CID 79490291) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine
PubChem CID79490291
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine
SMILESCCC(CC)N(CCCNC1CCCC1)CC(C)C
InChIInChI=1S/C17H36N2/c1-5-17(6-2)19(14-15(3)4)13-9-12-18-16-10-7-8-11-16/h15-18H,5-14H2,1-4H3
InChIKeyPAABFASTBGGFRY-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79490778
N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 62562576
N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79489086
N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine
CID 79492004
N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 60868035
N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78991158
N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112666260
N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine
CID 55087820
N-(7-methyloctyl)cyclooctanamine
CID 29032555
N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 55085372
2-(cyclopentylamino)-N-(2-methylpropyl)-N-pentan-3-ylacetamide
CID 79490010
1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 104746704

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine?
The IUPAC name of N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine (CID 79490291) is N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine?
The canonical SMILES for N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine is CCC(CC)N(CCCNC1CCCC1)CC(C)C.
What is the InChIKey of N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine?
The InChIKey is PAABFASTBGGFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-17(6-2)19(14-15(3)4)13-9-12-18-16-10-7-8-11-16/h15-18H,5-14H2,1-4H3.
What are the key properties of N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine?
N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine is sourced from PubChem (CID 79490291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).