2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine

C12H26N2O — CID 62984804

IUPAC2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine
SMILESCOCCCN(C)C1CCCCC1CN
InChIInChI=1S/C12H26N2O/c1-14(8-5-9-15-2)12-7-4-3-6-11(12)10-13/h11-12H,3-10,13H2,1-2H3
InChIKeyGQSPWSHFUOFNNX-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds6

About 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine

2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine (PubChem CID 62984804) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine
PubChem CID62984804
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine
SMILESCOCCCN(C)C1CCCCC1CN
InChIInChI=1S/C12H26N2O/c1-14(8-5-9-15-2)12-7-4-3-6-11(12)10-13/h11-12H,3-10,13H2,1-2H3
InChIKeyGQSPWSHFUOFNNX-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine (CID 62984804) is 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine is COCCCN(C)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine?
The InChIKey is GQSPWSHFUOFNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-14(8-5-9-15-2)12-7-4-3-6-11(12)10-13/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine?
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 62984804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).