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

C15H29N — CID 106830165

IUPACN-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine
SMILESC=CCCCC(NCC)C1(C)CCCCC1
InChIInChI=1S/C15H29N/c1-4-6-8-11-14(16-5-2)15(3)12-9-7-10-13-15/h4,14,16H,1,5-13H2,2-3H3
InChIKeyLCXJANDBESGUCU-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.29
Rot. Bonds7

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

N-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine (PubChem CID 106830165) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine
PubChem CID106830165
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine
SMILESC=CCCCC(NCC)C1(C)CCCCC1
InChIInChI=1S/C15H29N/c1-4-6-8-11-14(16-5-2)15(3)12-9-7-10-13-15/h4,14,16H,1,5-13H2,2-3H3
InChIKeyLCXJANDBESGUCU-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.29
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-(1-methylcyclohexyl)heptan-1-amine
CID 106829929
N-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine
CID 106829882
1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine
CID 107189124
1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine
CID 116771028
2-cyclobutyl-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 106830143
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine
CID 116766659
1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine
CID 116764224
N-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine
CID 115782896
1-(1-methylcyclopentyl)-N-propyldecan-1-amine
CID 115831669
N,N-dimethyl-1-[1-(methylamino)hex-5-enyl]cyclopentan-1-amine
CID 79069765
N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine
CID 116714654
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine
CID 107009746

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine?
The IUPAC name of N-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine (CID 106830165) is N-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine?
The canonical SMILES for N-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine is C=CCCCC(NCC)C1(C)CCCCC1.
What is the InChIKey of N-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine?
The InChIKey is LCXJANDBESGUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-4-6-8-11-14(16-5-2)15(3)12-9-7-10-13-15/h4,14,16H,1,5-13H2,2-3H3.
What are the key properties of N-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine?
N-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine is sourced from PubChem (CID 106830165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).