N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine

C16H32N2 — CID 62425580

IUPACN'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
SMILESCCN(CCCCCNC1CC1)C1CCCCC1
InChIInChI=1S/C16H32N2/c1-2-18(16-9-5-3-6-10-16)14-8-4-7-13-17-15-11-12-15/h15-17H,2-14H2,1H3
InChIKeyPQPSTSQUKVVSFP-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.56
Rot. Bonds9

About N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine

N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine (PubChem CID 62425580) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
PubChem CID62425580
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
SMILESCCN(CCCCCNC1CC1)C1CCCCC1
InChIInChI=1S/C16H32N2/c1-2-18(16-9-5-3-6-10-16)14-8-4-7-13-17-15-11-12-15/h15-17H,2-14H2,1H3
InChIKeyPQPSTSQUKVVSFP-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.56
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,N'-dicyclopropyl-N'-propylpentane-1,5-diamine
CID 62420672
N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine
CID 55023150
N-cyclopropyl-N',N'-diethylpentane-1,5-diamine
CID 62438484
N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62425397
N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine
CID 63501797
N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 78989930
3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol
CID 114763598
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine
CID 102999190
N'-cyclopropyl-N,N'-diethylpentane-1,5-diamine
CID 62421283
3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol
CID 149152663
N-dodecylcyclohexanamine
CID 3679395
N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine
CID 62434695

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine?
The IUPAC name of N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine (CID 62425580) is N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine.
What is the SMILES notation for N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine?
The canonical SMILES for N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine is CCN(CCCCCNC1CC1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine?
The InChIKey is PQPSTSQUKVVSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-2-18(16-9-5-3-6-10-16)14-8-4-7-13-17-15-11-12-15/h15-17H,2-14H2,1H3.
What are the key properties of N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine?
N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine is sourced from PubChem (CID 62425580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).