4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile

C14H26N2 — CID 115976292

IUPAC4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile
SMILESCC1CCC(C(C)C)C(NCCCC#N)C1
InChIInChI=1S/C14H26N2/c1-11(2)13-7-6-12(3)10-14(13)16-9-5-4-8-15/h11-14,16H,4-7,9-10H2,1-3H3
InChIKeyQMRWABOHSANDLX-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.34
Rot. Bonds5

About 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile

4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile (PubChem CID 115976292) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile.

Molecular Properties

Compound Name4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile
PubChem CID115976292
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile
SMILESCC1CCC(C(C)C)C(NCCCC#N)C1
InChIInChI=1S/C14H26N2/c1-11(2)13-7-6-12(3)10-14(13)16-9-5-4-8-15/h11-14,16H,4-7,9-10H2,1-3H3
InChIKeyQMRWABOHSANDLX-UHFFFAOYSA-N
XLogP3.34
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.34
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-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 114158519
N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43223218
6-[(5-methyl-2-propan-2-ylcyclohexyl)amino]hexan-1-ol
CID 103922216
5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 113326984
5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 113261734
cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine
CID 130962040
4-[(3-methylcyclohexyl)amino]butanenitrile
CID 43317904
(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103906936
3-amino-5-[5-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]amino]pentyl]-1H-pyrazole-4-carbonitrile
CID 41041937
5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine
CID 43710072
5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 104629202
N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 61071274

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile?
The IUPAC name of 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile (CID 115976292) is 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile.
What is the SMILES notation for 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile?
The canonical SMILES for 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile is CC1CCC(C(C)C)C(NCCCC#N)C1.
What is the InChIKey of 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile?
The InChIKey is QMRWABOHSANDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(2)13-7-6-12(3)10-14(13)16-9-5-4-8-15/h11-14,16H,4-7,9-10H2,1-3H3.
What are the key properties of 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile?
4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile has a molecular weight of 222.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile is sourced from PubChem (CID 115976292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).