2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile

C17H32N2O — CID 106708901

IUPAC2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile
SMILESCCCNC1CCC(OCCCCC(C)(C)C#N)CC1
InChIInChI=1S/C17H32N2O/c1-4-12-19-15-7-9-16(10-8-15)20-13-6-5-11-17(2,3)14-18/h15-16,19H,4-13H2,1-3H3
InChIKeyCEWBWPJGLUVDGD-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.03
Rot. Bonds9

About 2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile

2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile (PubChem CID 106708901) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile
PubChem CID106708901
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile
SMILESCCCNC1CCC(OCCCCC(C)(C)C#N)CC1
InChIInChI=1S/C17H32N2O/c1-4-12-19-15-7-9-16(10-8-15)20-13-6-5-11-17(2,3)14-18/h15-16,19H,4-13H2,1-3H3
InChIKeyCEWBWPJGLUVDGD-UHFFFAOYSA-N
XLogP4.03
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(cyclopropylamino)-2,2-dimethylpentanenitrile
CID 65256303
6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile
CID 114117991
4-(4-methylpentoxy)-N-propylcyclohexan-1-amine
CID 113414086
3-butoxy-N-propylcyclopentan-1-amine
CID 79644204
5-(cycloheptylamino)-2,2-dimethylpentanenitrile
CID 65254456
4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine
CID 114333026
N-ethyl-4-(4-methoxybutoxy)cyclohexan-1-amine
CID 104647209
2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile
CID 106713108
N-propyl-3-(4,4,4-trifluorobutoxy)cyclohexan-1-amine
CID 82789902
6-[3-[(cyclopropylamino)methyl]phenoxy]-2,2-dimethylhexanenitrile
CID 106708779
heptoxycyclopropane
CID 54099544
5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile
CID 65256696

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile?
The IUPAC name of 2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile (CID 106708901) is 2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile is CCCNC1CCC(OCCCCC(C)(C)C#N)CC1.
What is the InChIKey of 2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile?
The InChIKey is CEWBWPJGLUVDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-12-19-15-7-9-16(10-8-15)20-13-6-5-11-17(2,3)14-18/h15-16,19H,4-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile?
2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile has a molecular weight of 280.46 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile is sourced from PubChem (CID 106708901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).