1-cyclooctyl-N-ethylheptan-1-amine

C17H35N — CID 80603132

IUPAC1-cyclooctyl-N-ethylheptan-1-amine
SMILESCCCCCCC(NCC)C1CCCCCCC1
InChIInChI=1S/C17H35N/c1-3-5-6-12-15-17(18-4-2)16-13-10-8-7-9-11-14-16/h16-18H,3-15H2,1-2H3
InChIKeyFHJBYLYEXSVVIH-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.30
Rot. Bonds8

About 1-cyclooctyl-N-ethylheptan-1-amine

1-cyclooctyl-N-ethylheptan-1-amine (PubChem CID 80603132) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1-cyclooctyl-N-ethylheptan-1-amine.

Molecular Properties

Compound Name1-cyclooctyl-N-ethylheptan-1-amine
PubChem CID80603132
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1-cyclooctyl-N-ethylheptan-1-amine
SMILESCCCCCCC(NCC)C1CCCCCCC1
InChIInChI=1S/C17H35N/c1-3-5-6-12-15-17(18-4-2)16-13-10-8-7-9-11-14-16/h16-18H,3-15H2,1-2H3
InChIKeyFHJBYLYEXSVVIH-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.30
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

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1-cycloheptyldodecylhydrazine
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CID 65423776
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CID 104648397
3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine
CID 55095359
N-ethyl-1-(3-ethylcyclohexyl)decan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-N-ethylheptan-1-amine?
The IUPAC name of 1-cyclooctyl-N-ethylheptan-1-amine (CID 80603132) is 1-cyclooctyl-N-ethylheptan-1-amine.
What is the SMILES notation for 1-cyclooctyl-N-ethylheptan-1-amine?
The canonical SMILES for 1-cyclooctyl-N-ethylheptan-1-amine is CCCCCCC(NCC)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-N-ethylheptan-1-amine?
The InChIKey is FHJBYLYEXSVVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-3-5-6-12-15-17(18-4-2)16-13-10-8-7-9-11-14-16/h16-18H,3-15H2,1-2H3.
What are the key properties of 1-cyclooctyl-N-ethylheptan-1-amine?
1-cyclooctyl-N-ethylheptan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-N-ethylheptan-1-amine is sourced from PubChem (CID 80603132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).