1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine

C17H34N2O — CID 62007723

IUPAC1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
SMILESCCC1CCC(CN)(N(CC)CC2CCCCO2)CC1
InChIInChI=1S/C17H34N2O/c1-3-15-8-10-17(14-18,11-9-15)19(4-2)13-16-7-5-6-12-20-16/h15-16H,3-14,18H2,1-2H3
InChIKeyKCJWQYITYQZCGG-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.18
Rot. Bonds6

About 1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 62007723) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
PubChem CID62007723
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
SMILESCCC1CCC(CN)(N(CC)CC2CCCCO2)CC1
InChIInChI=1S/C17H34N2O/c1-3-15-8-10-17(14-18,11-9-15)19(4-2)13-16-7-5-6-12-20-16/h15-16H,3-14,18H2,1-2H3
InChIKeyKCJWQYITYQZCGG-UHFFFAOYSA-N
XLogP3.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine (CID 62007723) is 1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine is CCC1CCC(CN)(N(CC)CC2CCCCO2)CC1.
What is the InChIKey of 1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is KCJWQYITYQZCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-15-8-10-17(14-18,11-9-15)19(4-2)13-16-7-5-6-12-20-16/h15-16H,3-14,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 62007723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).