N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine

C15H32N2 — CID 69171218

IUPACN-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine
SMILESCC(C)NCCCCCCNC1CCCCC1
InChIInChI=1S/C15H32N2/c1-14(2)16-12-8-3-4-9-13-17-15-10-6-5-7-11-15/h14-17H,3-13H2,1-2H3
InChIKeyFFMSVAMSTWMARV-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.47
Rot. Bonds9

About N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine

N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine (PubChem CID 69171218) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine
PubChem CID69171218
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine
SMILESCC(C)NCCCCCCNC1CCCCC1
InChIInChI=1S/C15H32N2/c1-14(2)16-12-8-3-4-9-13-17-15-10-6-5-7-11-15/h14-17H,3-13H2,1-2H3
InChIKeyFFMSVAMSTWMARV-UHFFFAOYSA-N
XLogP3.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.47
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-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen
CID 142089366
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-(7-methyloctyl)cyclooctanamine
CID 29032555
N-dodecylcyclohexanamine
CID 3679395
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine
CID 66337356
N-(3-propan-2-yloxypropyl)cycloheptanamine
CID 28726587
N'-cycloheptylbutane-1,4-diamine
CID 60894157
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N-(5,5-dimethylhexyl)cyclohexanamine
CID 58974848
N'-butan-2-yl-N-cyclohexylethane-1,2-diamine
CID 44630792
N-(5-chloro-4-methylpentyl)cycloheptanamine
CID 106153204

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine?
The IUPAC name of N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine (CID 69171218) is N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine.
What is the SMILES notation for N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine?
The canonical SMILES for N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine is CC(C)NCCCCCCNC1CCCCC1.
What is the InChIKey of N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine?
The InChIKey is FFMSVAMSTWMARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-14(2)16-12-8-3-4-9-13-17-15-10-6-5-7-11-15/h14-17H,3-13H2,1-2H3.
What are the key properties of N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine?
N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine is sourced from PubChem (CID 69171218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).