N-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine

C17H33NO — CID 64776416

IUPACN-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCCCOC2CCCCC2)C(C)C1
InChIInChI=1S/C17H33NO/c1-14-9-10-17(15(2)13-14)18-11-6-12-19-16-7-4-3-5-8-16/h14-18H,3-13H2,1-2H3
InChIKeyLEHRBOBIKKSRAK-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds6

About N-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine

N-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine (PubChem CID 64776416) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine
PubChem CID64776416
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCCCOC2CCCCC2)C(C)C1
InChIInChI=1S/C17H33NO/c1-14-9-10-17(15(2)13-14)18-11-6-12-19-16-7-4-3-5-8-16/h14-18H,3-13H2,1-2H3
InChIKeyLEHRBOBIKKSRAK-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.14
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-(3-cyclohexyloxypropyl)-2-methylcyclopentan-1-amine
CID 65046770
N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine
CID 64501250
N-dodecyl-2,4-dimethylcyclohexan-1-amine
CID 63995317
N-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine
CID 43770852
N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine
CID 113289548
(2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine
CID 124568299
N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654
N-(2-cycloheptyloxyethyl)-4-methylcyclohexan-1-amine
CID 62583471
N-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 104531141
3-cyclopentyloxy-N-methylpropan-1-amine
CID 62444438
N-(3-cyclohexyloxypropyl)-1-methylpiperidin-4-amine
CID 28720054

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine (CID 64776416) is N-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine is CC1CCC(NCCCOC2CCCCC2)C(C)C1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine?
The InChIKey is LEHRBOBIKKSRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-14-9-10-17(15(2)13-14)18-11-6-12-19-16-7-4-3-5-8-16/h14-18H,3-13H2,1-2H3.
What are the key properties of N-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine?
N-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64776416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).