4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine

C14H29NO — CID 115584679

IUPAC4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
SMILESCCC1CCC(NCCOCC(C)C)CC1
InChIInChI=1S/C14H29NO/c1-4-13-5-7-14(8-6-13)15-9-10-16-11-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyZNGQXICOYBBHJI-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds7

About 4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine

4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine (PubChem CID 115584679) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
PubChem CID115584679
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
SMILESCCC1CCC(NCCOCC(C)C)CC1
InChIInChI=1S/C14H29NO/c1-4-13-5-7-14(8-6-13)15-9-10-16-11-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyZNGQXICOYBBHJI-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

4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 62567459
N-[4-(2-methylpropoxy)butyl]cyclopropanamine
CID 62445498
N-(2-ethoxyethyl)-4-ethylcycloheptan-1-amine
CID 65084124
N-(2-but-3-enoxyethyl)-4-ethylcyclohexan-1-amine
CID 103854437
N-[3-(2-methylpropoxy)propyl]cyclopentanamine
CID 28681533
N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine
CID 115584682
N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine
CID 28718710
2-[(4-ethylcyclohexyl)amino]ethyl carbamate
CID 83210087
N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 115713726
1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 107262664
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738
(3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine
CID 97230823

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine (CID 115584679) is 4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine is CCC1CCC(NCCOCC(C)C)CC1.
What is the InChIKey of 4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine?
The InChIKey is ZNGQXICOYBBHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-13-5-7-14(8-6-13)15-9-10-16-11-12(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of 4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine?
4-ethyl-N-[2-(2-methylpropoxy)ethyl]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 4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 115584679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).