1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine

C15H32N2O — CID 54947055

IUPAC1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)(N(C)C(C)COC)CC1
InChIInChI=1S/C15H32N2O/c1-5-6-14-7-9-15(12-16,10-8-14)17(3)13(2)11-18-4/h13-14H,5-12,16H2,1-4H3
InChIKeyCFZAQDDKWNWSBE-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.64
Rot. Bonds7

About 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine

1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine (PubChem CID 54947055) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine
PubChem CID54947055
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)(N(C)C(C)COC)CC1
InChIInChI=1S/C15H32N2O/c1-5-6-14-7-9-15(12-16,10-8-14)17(3)13(2)11-18-4/h13-14H,5-12,16H2,1-4H3
InChIKeyCFZAQDDKWNWSBE-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine (CID 54947055) is 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine is CCCC1CCC(CN)(N(C)C(C)COC)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine?
The InChIKey is CFZAQDDKWNWSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-6-14-7-9-15(12-16,10-8-14)17(3)13(2)11-18-4/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine?
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 54947055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).