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

C14H30N2 — CID 115204587

IUPACN-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(CCN)CNCCC1CCCCC1
InChIInChI=1S/C14H30N2/c1-14(2,9-10-15)12-16-11-8-13-6-4-3-5-7-13/h13,16H,3-12,15H2,1-2H3
InChIKeyUUQNVWSJRVIUAU-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.92
Rot. Bonds7

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

N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine (PubChem CID 115204587) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine
PubChem CID115204587
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(CCN)CNCCC1CCCCC1
InChIInChI=1S/C14H30N2/c1-14(2,9-10-15)12-16-11-8-13-6-4-3-5-7-13/h13,16H,3-12,15H2,1-2H3
InChIKeyUUQNVWSJRVIUAU-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.92
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

N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine
CID 103529191
3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol
CID 81411941
2,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]butane-1,4-diamine
CID 115204592
N'-(2-cyclopentylethyl)ethane-1,2-diamine
CID 57274460
2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine
CID 115200230
2,2-dimethyl-N-(2-piperidin-4-ylethyl)pentan-1-amine
CID 115211733
N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine
CID 115204534
N'-[(2-cyclopentadecylethylamino)methyl]methanediamine
CID 155760547
N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine
CID 115202800
3-cyclohexylpropan-1-amine;ethane
CID 143945055
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol
CID 103897688

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine (CID 115204587) is N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine is CC(C)(CCN)CNCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine?
The InChIKey is UUQNVWSJRVIUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-14(2,9-10-15)12-16-11-8-13-6-4-3-5-7-13/h13,16H,3-12,15H2,1-2H3.
What are the key properties of N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine?
N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115204587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).