N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine

C18H35N — CID 107009239

IUPACN-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine
SMILESC=CCCCCCC(NCC)C1CCCC(CC)C1
InChIInChI=1S/C18H35N/c1-4-7-8-9-10-14-18(19-6-3)17-13-11-12-16(5-2)15-17/h4,16-19H,1,5-15H2,2-3H3
InChIKeyFTANBOHCQGCAHA-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.32
Rot. Bonds10

About N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine

N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine (PubChem CID 107009239) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine
PubChem CID107009239
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine
SMILESC=CCCCCCC(NCC)C1CCCC(CC)C1
InChIInChI=1S/C18H35N/c1-4-7-8-9-10-14-18(19-6-3)17-13-11-12-16(5-2)15-17/h4,16-19H,1,5-15H2,2-3H3
InChIKeyFTANBOHCQGCAHA-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(3-ethylcyclohexyl)decan-1-amine
CID 65415153
1-(3-ethylcyclohexyl)-N-methylhex-5-en-1-amine
CID 65414544
N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine
CID 113374324
N-ethyl-1-(3-ethylcyclopentyl)hexan-1-amine
CID 65409647
N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine
CID 107011890
1-(3-ethylcyclohexyl)hex-5-en-1-amine
CID 65413113
1-cyclohexyl-N-ethylnon-8-en-2-amine
CID 107011937
3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine
CID 105156239
1-cyclobutyl-N-ethylundecan-1-amine
CID 64986983
1-cyclohexyl-N-methyloct-7-en-1-amine
CID 107008890
N-ethyl-1-(3-ethylcyclohexyl)but-3-yn-1-amine
CID 65412723
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine
CID 107011407

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine?
The IUPAC name of N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine (CID 107009239) is N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine.
What is the SMILES notation for N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine?
The canonical SMILES for N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine is C=CCCCCCC(NCC)C1CCCC(CC)C1.
What is the InChIKey of N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine?
The InChIKey is FTANBOHCQGCAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-4-7-8-9-10-14-18(19-6-3)17-13-11-12-16(5-2)15-17/h4,16-19H,1,5-15H2,2-3H3.
What are the key properties of N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine?
N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine is sourced from PubChem (CID 107009239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).