N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine

C16H34N2 — CID 62425397

IUPACN'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine
SMILESCCN(CCCCNCC(C)C)C1CCCCC1
InChIInChI=1S/C16H34N2/c1-4-18(16-10-6-5-7-11-16)13-9-8-12-17-14-15(2)3/h15-17H,4-14H2,1-3H3
InChIKeySSJQQXHILNUDSR-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds9

About N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine

N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine (PubChem CID 62425397) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine
PubChem CID62425397
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine
SMILESCCN(CCCCNCC(C)C)C1CCCCC1
InChIInChI=1S/C16H34N2/c1-4-18(16-10-6-5-7-11-16)13-9-8-12-17-14-15(2)3/h15-17H,4-14H2,1-3H3
InChIKeySSJQQXHILNUDSR-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine
CID 55023150
N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62428833
N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
CID 62425580
N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine
CID 63501797
N'-cyclopropyl-N,N'-diethylpentane-1,5-diamine
CID 62421283
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
5-cyclohexyloxy-N-(2-methylpropyl)pentan-1-amine
CID 62443659
N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 62429150
N'-cyclopropyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60852013
N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62854578
N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 176601683
2-N-cyclohexyl-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 62557476

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine?
The IUPAC name of N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine (CID 62425397) is N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine?
The canonical SMILES for N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine is CCN(CCCCNCC(C)C)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine?
The InChIKey is SSJQQXHILNUDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-18(16-10-6-5-7-11-16)13-9-8-12-17-14-15(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine?
N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine is sourced from PubChem (CID 62425397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).