N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine

C16H33N — CID 106829929

IUPACN-ethyl-1-(1-methylcyclohexyl)heptan-1-amine
SMILESCCCCCCC(NCC)C1(C)CCCCC1
InChIInChI=1S/C16H33N/c1-4-6-7-9-12-15(17-5-2)16(3)13-10-8-11-14-16/h15,17H,4-14H2,1-3H3
InChIKeyVUYNTVILSYJFIX-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.91
Rot. Bonds8

About N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine

N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine (PubChem CID 106829929) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylcyclohexyl)heptan-1-amine
PubChem CID106829929
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-ethyl-1-(1-methylcyclohexyl)heptan-1-amine
SMILESCCCCCCC(NCC)C1(C)CCCCC1
InChIInChI=1S/C16H33N/c1-4-6-7-9-12-15(17-5-2)16(3)13-10-8-11-14-16/h15,17H,4-14H2,1-3H3
InChIKeyVUYNTVILSYJFIX-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylcyclopentyl)-N-propyldecan-1-amine
CID 115831669
N-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine
CID 106830165
N-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine
CID 106829882
1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine
CID 79081785
1-(1-methylcyclopropyl)undecylhydrazine
CID 105253571
1-(1-ethoxycyclopentyl)-N-ethylnonan-1-amine
CID 116762131
N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine
CID 79059978
N-methyl-1-(1-methylcyclopentyl)pentan-1-amine
CID 115833048
1-methyl-1-undec-1-en-3-ylcyclohexane
CID 11107782
1-(1-methylcyclopentyl)heptan-1-ol
CID 115783527
N-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine
CID 115782896
1-(1-methylcyclopentyl)nonan-1-ol
CID 115784043

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine?
The IUPAC name of N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine (CID 106829929) is N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine?
The canonical SMILES for N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine is CCCCCCC(NCC)C1(C)CCCCC1.
What is the InChIKey of N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine?
The InChIKey is VUYNTVILSYJFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-6-7-9-12-15(17-5-2)16(3)13-10-8-11-14-16/h15,17H,4-14H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine?
N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.91, 8 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)heptan-1-amine is sourced from PubChem (CID 106829929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).