3-methoxypropan-1-amine;N-methylcyclohexanamine

C11H26N2O — CID 142080700

IUPAC3-methoxypropan-1-amine;N-methylcyclohexanamine
SMILESCNC1CCCCC1.COCCCN
InChIInChI=1S/C7H15N.C4H11NO/c1-8-7-5-3-2-4-6-7;1-6-4-2-3-5/h7-8H,2-6H2,1H3;2-5H2,1H3
InChIKeyULRAHAMIHJDXMU-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.52
Rot. Bonds4

About 3-methoxypropan-1-amine;N-methylcyclohexanamine

3-methoxypropan-1-amine;N-methylcyclohexanamine (PubChem CID 142080700) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-methoxypropan-1-amine;N-methylcyclohexanamine.

Molecular Properties

Compound Name3-methoxypropan-1-amine;N-methylcyclohexanamine
PubChem CID142080700
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name3-methoxypropan-1-amine;N-methylcyclohexanamine
SMILESCNC1CCCCC1.COCCCN
InChIInChI=1S/C7H15N.C4H11NO/c1-8-7-5-3-2-4-6-7;1-6-4-2-3-5/h7-8H,2-6H2,1H3;2-5H2,1H3
InChIKeyULRAHAMIHJDXMU-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
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 3-methoxypropan-1-amine;N-methylcyclohexanamine?
The IUPAC name of 3-methoxypropan-1-amine;N-methylcyclohexanamine (CID 142080700) is 3-methoxypropan-1-amine;N-methylcyclohexanamine.
What is the SMILES notation for 3-methoxypropan-1-amine;N-methylcyclohexanamine?
The canonical SMILES for 3-methoxypropan-1-amine;N-methylcyclohexanamine is CNC1CCCCC1.COCCCN.
What is the InChIKey of 3-methoxypropan-1-amine;N-methylcyclohexanamine?
The InChIKey is ULRAHAMIHJDXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C4H11NO/c1-8-7-5-3-2-4-6-7;1-6-4-2-3-5/h7-8H,2-6H2,1H3;2-5H2,1H3.
What are the key properties of 3-methoxypropan-1-amine;N-methylcyclohexanamine?
3-methoxypropan-1-amine;N-methylcyclohexanamine has a molecular weight of 202.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropan-1-amine;N-methylcyclohexanamine is sourced from PubChem (CID 142080700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).