N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine

C13H28N2 — CID 115202800

IUPACN-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine
SMILESCC(CCN)CNCCC1CCCCC1
InChIInChI=1S/C13H28N2/c1-12(7-9-14)11-15-10-8-13-5-3-2-4-6-13/h12-13,15H,2-11,14H2,1H3
InChIKeyWBHJAPDUWUAZPI-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.53
Rot. Bonds7

About N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine

N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine (PubChem CID 115202800) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine
PubChem CID115202800
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine
SMILESCC(CCN)CNCCC1CCCCC1
InChIInChI=1S/C13H28N2/c1-12(7-9-14)11-15-10-8-13-5-3-2-4-6-13/h12-13,15H,2-11,14H2,1H3
InChIKeyWBHJAPDUWUAZPI-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.53
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

1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine
CID 83962626
3-(2-cyclohexylethylamino)-2-methylpropanamide
CID 60920739
N'-(2-cyclopentylethyl)ethane-1,2-diamine
CID 57274460
N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine
CID 144887012
N-(2-cyclopentylethyl)-2-ethylbutan-1-amine
CID 60732890
N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine
CID 115204587
N'-[(2-cyclopentadecylethylamino)methyl]methanediamine
CID 155760547
3-tert-butyl-N'-(2-cyclobutylethyl)hexane-1,6-diamine
CID 113478951
methyl 2-bromo-3-(2-cyclohexylethylamino)propanoate
CID 103240079
2-methyl-N-pentylbutane-1,4-diamine
CID 114987341
N-ethyl-2-methylbutane-1,4-diamine
CID 79001608
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine?
The IUPAC name of N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine (CID 115202800) is N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine?
The canonical SMILES for N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine is CC(CCN)CNCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine?
The InChIKey is WBHJAPDUWUAZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-12(7-9-14)11-15-10-8-13-5-3-2-4-6-13/h12-13,15H,2-11,14H2,1H3.
What are the key properties of N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine?
N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 115202800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).