1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine

C19H38N2 — CID 107009396

IUPAC1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESC=CCCCCCC(NCC)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C19H38N2/c1-6-8-9-10-11-14-18(20-7-2)19(21(4)5)15-12-13-17(3)16-19/h6,17-18,20H,1,7-16H2,2-5H3
InChIKeyICFNXQVURNUPIT-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.61
Rot. Bonds10

About 1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine

1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 107009396) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID107009396
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESC=CCCCCCC(NCC)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C19H38N2/c1-6-8-9-10-11-14-18(20-7-2)19(21(4)5)15-12-13-17(3)16-19/h6,17-18,20H,1,7-16H2,2-5H3
InChIKeyICFNXQVURNUPIT-UHFFFAOYSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.61
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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Related Compounds

1-(1-hydrazinyloct-7-enyl)-N,N,3-trimethylcyclohexan-1-amine
CID 107012549
N,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine
CID 79074031
1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol
CID 107008628
1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074775
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine
CID 107009746
1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074441
1-(1-hydrazinyloct-7-enyl)-N,N-dimethylcycloheptan-1-amine
CID 107012550
1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine
CID 79081785
N,N-dimethyl-1-[1-(methylamino)hex-5-enyl]cyclopentan-1-amine
CID 79069765
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine
CID 116766659
1-[2-methoxy-1-(propylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79570649
1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 104581873

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine (CID 107009396) is 1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine is C=CCCCCCC(NCC)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is ICFNXQVURNUPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-6-8-9-10-11-14-18(20-7-2)19(21(4)5)15-12-13-17(3)16-19/h6,17-18,20H,1,7-16H2,2-5H3.
What are the key properties of 1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 107009396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).