1-(aminomethyl)-3-methoxy-N-methyl-N-propan-2-ylcyclohexan-1-amine

C12H26N2O — CID 106872112

IUPAC1-(aminomethyl)-3-methoxy-N-methyl-N-propan-2-ylcyclohexan-1-amine
SMILESCOC1CCCC(CN)(N(C)C(C)C)C1
InChIInChI=1S/C12H26N2O/c1-10(2)14(3)12(9-13)7-5-6-11(8-12)15-4/h10-11H,5-9,13H2,1-4H3
InChIKeyDWXZCMSWRUWITO-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds4

About 1-(aminomethyl)-3-methoxy-N-methyl-N-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-3-methoxy-N-methyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 106872112) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methoxy-N-methyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-methoxy-N-methyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID106872112
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(aminomethyl)-3-methoxy-N-methyl-N-propan-2-ylcyclohexan-1-amine
SMILESCOC1CCCC(CN)(N(C)C(C)C)C1
InChIInChI=1S/C12H26N2O/c1-10(2)14(3)12(9-13)7-5-6-11(8-12)15-4/h10-11H,5-9,13H2,1-4H3
InChIKeyDWXZCMSWRUWITO-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methoxy-N-methyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-methoxy-N-methyl-N-propan-2-ylcyclohexan-1-amine (CID 106872112) is 1-(aminomethyl)-3-methoxy-N-methyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-methoxy-N-methyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-methoxy-N-methyl-N-propan-2-ylcyclohexan-1-amine is COC1CCCC(CN)(N(C)C(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-3-methoxy-N-methyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is DWXZCMSWRUWITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)14(3)12(9-13)7-5-6-11(8-12)15-4/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 1-(aminomethyl)-3-methoxy-N-methyl-N-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-3-methoxy-N-methyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methoxy-N-methyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 106872112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).