1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine

C16H34N2O — CID 107449052

IUPAC1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
SMILESCCN(C(C)COC)C1(CN)CCCC(C(C)C)C1
InChIInChI=1S/C16H34N2O/c1-6-18(14(4)11-19-5)16(12-17)9-7-8-15(10-16)13(2)3/h13-15H,6-12,17H2,1-5H3
InChIKeyYKQKUJVMUGQZRG-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.89
Rot. Bonds7

About 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107449052) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID107449052
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
SMILESCCN(C(C)COC)C1(CN)CCCC(C(C)C)C1
InChIInChI=1S/C16H34N2O/c1-6-18(14(4)11-19-5)16(12-17)9-7-8-15(10-16)13(2)3/h13-15H,6-12,17H2,1-5H3
InChIKeyYKQKUJVMUGQZRG-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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Related Compounds

1-(aminomethyl)-N-(2-methoxyethyl)-N,3-di(propan-2-yl)cyclohexan-1-amine
CID 107449206
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopentan-1-amine
CID 64502008
1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449048
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62704477
1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
CID 106821943
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428982
1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
CID 106821942
3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine
CID 62976391
4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine
CID 55011698
N'-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,N,N'-trimethylethane-1,2-diamine
CID 107449117
4-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1-propylpiperidin-4-amine
CID 55010968
2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188208

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine (CID 107449052) is 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine is CCN(C(C)COC)C1(CN)CCCC(C(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is YKQKUJVMUGQZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-18(14(4)11-19-5)16(12-17)9-7-8-15(10-16)13(2)3/h13-15H,6-12,17H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-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-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107449052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).