8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C16H30N2 — CID 62738482

IUPAC8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCC1CCC(CN2C3CCC2CC(N)C3)CC1
InChIInChI=1S/C16H30N2/c1-2-12-3-5-13(6-4-12)11-18-15-7-8-16(18)10-14(17)9-15/h12-16H,2-11,17H2,1H3
InChIKeyCWIRCMHFRIFESZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.16
Rot. Bonds3

About 8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62738482) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62738482
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCC1CCC(CN2C3CCC2CC(N)C3)CC1
InChIInChI=1S/C16H30N2/c1-2-12-3-5-13(6-4-12)11-18-15-7-8-16(18)10-14(17)9-15/h12-16H,2-11,17H2,1H3
InChIKeyCWIRCMHFRIFESZ-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 62738482) is 8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CCC1CCC(CN2C3CCC2CC(N)C3)CC1.
What is the InChIKey of 8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CWIRCMHFRIFESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-12-3-5-13(6-4-12)11-18-15-7-8-16(18)10-14(17)9-15/h12-16H,2-11,17H2,1H3.
What are the key properties of 8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 250.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62738482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).