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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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).