1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine

C13H28N2O — CID 106872183

IUPAC1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine
SMILESCCC(C)N(C)C1(CN)CCCCC1OC
InChIInChI=1S/C13H28N2O/c1-5-11(2)15(3)13(10-14)9-7-6-8-12(13)16-4/h11-12H,5-10,14H2,1-4H3
InChIKeyZYVOGXHNFQVXLE-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.00
Rot. Bonds5

About 1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine

1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine (PubChem CID 106872183) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine
PubChem CID106872183
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine
SMILESCCC(C)N(C)C1(CN)CCCCC1OC
InChIInChI=1S/C13H28N2O/c1-5-11(2)15(3)13(10-14)9-7-6-8-12(13)16-4/h11-12H,5-10,14H2,1-4H3
InChIKeyZYVOGXHNFQVXLE-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine (CID 106872183) is 1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine is CCC(C)N(C)C1(CN)CCCCC1OC.
What is the InChIKey of 1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine?
The InChIKey is ZYVOGXHNFQVXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-11(2)15(3)13(10-14)9-7-6-8-12(13)16-4/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine?
1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine is sourced from PubChem (CID 106872183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).