N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine

C16H34N2 — CID 62429150

IUPACN'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine
SMILESCC(C)CNCCCCN(C)C1CCCC(C)C1
InChIInChI=1S/C16H34N2/c1-14(2)13-17-10-5-6-11-18(4)16-9-7-8-15(3)12-16/h14-17H,5-13H2,1-4H3
InChIKeyNLWUFXBGFUDIOS-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds8

About N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine

N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine (PubChem CID 62429150) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine
PubChem CID62429150
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine
SMILESCC(C)CNCCCCN(C)C1CCCC(C)C1
InChIInChI=1S/C16H34N2/c1-14(2)13-17-10-5-6-11-18(4)16-9-7-8-15(3)12-16/h14-17H,5-13H2,1-4H3
InChIKeyNLWUFXBGFUDIOS-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
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-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine
CID 62429155
N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine
CID 62432030
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
CID 62455906
N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine
CID 62547703
N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine
CID 105343672
3-[methyl-(3-methylcyclohexyl)amino]propan-1-ol
CID 60969986
N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62854578
N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62425397
N-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine
CID 102740718
N-cyclopropyl-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 61447072
N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine
CID 7074573

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine?
The IUPAC name of N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine (CID 62429150) is N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine is CC(C)CNCCCCN(C)C1CCCC(C)C1.
What is the InChIKey of N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine?
The InChIKey is NLWUFXBGFUDIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-14(2)13-17-10-5-6-11-18(4)16-9-7-8-15(3)12-16/h14-17H,5-13H2,1-4H3.
What are the key properties of N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine?
N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine is sourced from PubChem (CID 62429150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).