N-(2-ethoxyethyl)-3-(2-methylpropyl)cyclohexan-1-amine

C14H29NO — CID 107428085

IUPACN-(2-ethoxyethyl)-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCCOCCNC1CCCC(CC(C)C)C1
InChIInChI=1S/C14H29NO/c1-4-16-9-8-15-14-7-5-6-13(11-14)10-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyKTJBBPWMBCWFCY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds7

About N-(2-ethoxyethyl)-3-(2-methylpropyl)cyclohexan-1-amine

N-(2-ethoxyethyl)-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107428085) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107428085
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(2-ethoxyethyl)-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCCOCCNC1CCCC(CC(C)C)C1
InChIInChI=1S/C14H29NO/c1-4-16-9-8-15-14-7-5-6-13(11-14)10-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyKTJBBPWMBCWFCY-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
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-ethoxypropyl)-3,3,5-trimethylcyclohexan-1-amine
CID 16259084
(Cyclohexylmethyl)(2-methoxyethyl)amine
CID 17158410
N-(2-methoxyethyl)-3,3-dimethylcyclohexan-1-amine
CID 64468633
N-[cyclohexyl(cyclopropyl)methyl]oxolan-3-amine
CID 91636206
N-(2-butoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101588
N-(2-ethoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101589
N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 54961803
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962010
2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962115
4-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 55032057
3,3,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60732879
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733031

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N-(2-ethoxyethyl)-3-(2-methylpropyl)cyclohexan-1-amine (CID 107428085) is N-(2-ethoxyethyl)-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-ethoxyethyl)-3-(2-methylpropyl)cyclohexan-1-amine is CCOCCNC1CCCC(CC(C)C)C1.
What is the InChIKey of N-(2-ethoxyethyl)-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is KTJBBPWMBCWFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-16-9-8-15-14-7-5-6-13(11-14)10-12(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-3-(2-methylpropyl)cyclohexan-1-amine?
N-(2-ethoxyethyl)-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107428085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).