N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine

C16H31NO — CID 116766659

IUPACN-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine
SMILESC=CCCCC(NCC)C1(OC)CCC(C)CC1
InChIInChI=1S/C16H31NO/c1-5-7-8-9-15(17-6-2)16(18-4)12-10-14(3)11-13-16/h5,14-15,17H,1,6-13H2,2-4H3
InChIKeyOMFUKPYVQUQTET-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.92
Rot. Bonds8

About N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine

N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine (PubChem CID 116766659) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine
PubChem CID116766659
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine
SMILESC=CCCCC(NCC)C1(OC)CCC(C)CC1
InChIInChI=1S/C16H31NO/c1-5-7-8-9-15(17-6-2)16(18-4)12-10-14(3)11-13-16/h5,14-15,17H,1,6-13H2,2-4H3
InChIKeyOMFUKPYVQUQTET-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine?
The IUPAC name of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine (CID 116766659) is N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine?
The canonical SMILES for N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine is C=CCCCC(NCC)C1(OC)CCC(C)CC1.
What is the InChIKey of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine?
The InChIKey is OMFUKPYVQUQTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-7-8-9-15(17-6-2)16(18-4)12-10-14(3)11-13-16/h5,14-15,17H,1,6-13H2,2-4H3.
What are the key properties of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine?
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine is sourced from PubChem (CID 116766659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).