1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C16H34N2O — CID 61427348

IUPAC1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(CN)(N(C)CCOC)CC1
InChIInChI=1S/C16H34N2O/c1-6-15(2,3)14-7-9-16(13-17,10-8-14)18(4)11-12-19-5/h14H,6-13,17H2,1-5H3
InChIKeyBHOIVFFOAVCJHH-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.89
Rot. Bonds7

About 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine

1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 61427348) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID61427348
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(CN)(N(C)CCOC)CC1
InChIInChI=1S/C16H34N2O/c1-6-15(2,3)14-7-9-16(13-17,10-8-14)18(4)11-12-19-5/h14H,6-13,17H2,1-5H3
InChIKeyBHOIVFFOAVCJHH-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 61427348) is 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(CN)(N(C)CCOC)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is BHOIVFFOAVCJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-15(2,3)14-7-9-16(13-17,10-8-14)18(4)11-12-19-5/h14H,6-13,17H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 61427348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).