1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine

C16H31N — CID 115832332

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine
SMILESCCCCCCCC(NCC)C1C2CCCC21
InChIInChI=1S/C16H31N/c1-3-5-6-7-8-12-15(17-4-2)16-13-10-9-11-14(13)16/h13-17H,3-12H2,1-2H3
InChIKeyYYHAKAHNXWBKNU-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds9

About 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine

1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine (PubChem CID 115832332) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine
PubChem CID115832332
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine
SMILESCCCCCCCC(NCC)C1C2CCCC21
InChIInChI=1S/C16H31N/c1-3-5-6-7-8-12-15(17-4-2)16-13-10-9-11-14(13)16/h13-17H,3-12H2,1-2H3
InChIKeyYYHAKAHNXWBKNU-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.37
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-cyclobutyl-N-ethylundecan-1-amine
CID 64986983
1-(7-bicyclo[4.1.0]heptanyl)octylhydrazine
CID 105293611
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572
1-cyclooctyl-N-ethylheptan-1-amine
CID 80603132
1-cyclohexyl-N-ethyldodecan-1-amine
CID 114981553
1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine
CID 115849575
N-ethyl-1-(3-ethylcyclohexyl)decan-1-amine
CID 65415153
N-ethyl-1-(oxan-4-yl)dodecan-1-amine
CID 115855998
N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine
CID 105126402
1-cyclobutyl-N-propyldodecan-1-amine
CID 105049365
1-(1,1-dioxothian-2-yl)-N-ethyloctan-1-amine
CID 115832238
1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039219

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine (CID 115832332) is 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine is CCCCCCCC(NCC)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine?
The InChIKey is YYHAKAHNXWBKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-3-5-6-7-8-12-15(17-4-2)16-13-10-9-11-14(13)16/h13-17H,3-12H2,1-2H3.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine?
1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine is sourced from PubChem (CID 115832332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).