N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine

C16H33NO — CID 55195526

IUPACN-(2-heptoxyethyl)-4-methylcyclohexan-1-amine
SMILESCCCCCCCOCCNC1CCC(C)CC1
InChIInChI=1S/C16H33NO/c1-3-4-5-6-7-13-18-14-12-17-16-10-8-15(2)9-11-16/h15-17H,3-14H2,1-2H3
InChIKeyOWJMNQLIJVGVMF-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.14
Rot. Bonds10

About N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine

N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine (PubChem CID 55195526) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-heptoxyethyl)-4-methylcyclohexan-1-amine
PubChem CID55195526
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-(2-heptoxyethyl)-4-methylcyclohexan-1-amine
SMILESCCCCCCCOCCNC1CCC(C)CC1
InChIInChI=1S/C16H33NO/c1-3-4-5-6-7-13-18-14-12-17-16-10-8-15(2)9-11-16/h15-17H,3-14H2,1-2H3
InChIKeyOWJMNQLIJVGVMF-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
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-(2-ethoxyethyl)-4-methylcyclohexan-1-amine
CID 43387964
N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine
CID 62597448
N-(2-pentoxyethyl)oxan-4-amine
CID 63099879
N-(3-butoxypropyl)cyclopropanamine
CID 62450977
N-(3-octoxypropyl)cyclohexanamine
CID 63506430
N-[4-(2-propoxyethoxy)butyl]cyclopropanamine
CID 63686428
4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 62567459
N-(2-butoxyethyl)-3-methylcyclohexan-1-amine
CID 61171817
N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine
CID 62584943
N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091022
CID 159860963
CID 159860963
N-(2-cycloheptyloxyethyl)-4-methylcyclohexan-1-amine
CID 62583471

Frequently Asked Questions

What is the IUPAC name of N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine?
The IUPAC name of N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine (CID 55195526) is N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine is CCCCCCCOCCNC1CCC(C)CC1.
What is the InChIKey of N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine?
The InChIKey is OWJMNQLIJVGVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-3-4-5-6-7-13-18-14-12-17-16-10-8-15(2)9-11-16/h15-17H,3-14H2,1-2H3.
What are the key properties of N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine?
N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 55195526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).