N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine

C16H34N2 — CID 55085372

IUPACN-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCCCCN(CCNC1CCCCC1)C(C)C
InChIInChI=1S/C16H34N2/c1-4-5-9-13-18(15(2)3)14-12-17-16-10-7-6-8-11-16/h15-17H,4-14H2,1-3H3
InChIKeyWINUKMDMNOPLGH-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds9

About N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine

N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 55085372) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID55085372
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCCCCN(CCNC1CCCCC1)C(C)C
InChIInChI=1S/C16H34N2/c1-4-5-9-13-18(15(2)3)14-12-17-16-10-7-6-8-11-16/h15-17H,4-14H2,1-3H3
InChIKeyWINUKMDMNOPLGH-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
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-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 63504271
N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine
CID 62574766
N-cyclohexyl-N'-(cyclopropylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62575675
N-dodecylcyclohexanamine
CID 3679395
N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634350
N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine
CID 62575467
N-cyclohexyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79490778
N'-cyclohexyl-N-decylethane-1,2-diamine
CID 163569737
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
N-cyclopentyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60850712

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine (CID 55085372) is N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine is CCCCCN(CCNC1CCCCC1)C(C)C.
What is the InChIKey of N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is WINUKMDMNOPLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-5-9-13-18(15(2)3)14-12-17-16-10-7-6-8-11-16/h15-17H,4-14H2,1-3H3.
What are the key properties of N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine?
N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 55085372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).