N'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine

C15H32N2 — CID 64687049

IUPACN'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine
SMILESCC(C)C(CCN)CCCNC1(C)CCCC1
InChIInChI=1S/C15H32N2/c1-13(2)14(8-11-16)7-6-12-17-15(3)9-4-5-10-15/h13-14,17H,4-12,16H2,1-3H3
InChIKeyKKWQEHKFNAAFTH-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.31
Rot. Bonds8

About N'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine

N'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine (PubChem CID 64687049) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine
PubChem CID64687049
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine
SMILESCC(C)C(CCN)CCCNC1(C)CCCC1
InChIInChI=1S/C15H32N2/c1-13(2)14(8-11-16)7-6-12-17-15(3)9-4-5-10-15/h13-14,17H,4-12,16H2,1-3H3
InChIKeyKKWQEHKFNAAFTH-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 65233135
2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine
CID 104682093
1-methyl-N-pentylcyclopentan-1-amine
CID 61365384
2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine
CID 65296202
N-decyl-1-methylcyclohexan-1-amine
CID 63491392
3-[(1-methylcyclopentyl)amino]propane-1-sulfinic acid
CID 142978231
3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine
CID 115520311
N-ethyl-N'-(1-methylcyclohexyl)propane-1,3-diamine
CID 62835794
1-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 115877016
2-methoxy-N'-(1-methylcyclobutyl)butane-1,4-diamine
CID 103152753
ethane;1-methyl-N-pentylcyclobutan-1-amine
CID 164868131
N-[2-(1-aminocyclopentyl)ethyl]-1-methylcyclopentan-1-amine
CID 64688862

Frequently Asked Questions

What is the IUPAC name of N'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine?
The IUPAC name of N'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine (CID 64687049) is N'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine.
What is the SMILES notation for N'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine?
The canonical SMILES for N'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine is CC(C)C(CCN)CCCNC1(C)CCCC1.
What is the InChIKey of N'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine?
The InChIKey is KKWQEHKFNAAFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-13(2)14(8-11-16)7-6-12-17-15(3)9-4-5-10-15/h13-14,17H,4-12,16H2,1-3H3.
What are the key properties of N'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine?
N'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine is sourced from PubChem (CID 64687049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).