N-methylprop-1-en-2-amine;N-prop-1-en-2-ylcyclohexanamine

C₁₃H₂₆N₂ — CID 143490439

About N-methylprop-1-en-2-amine;N-prop-1-en-2-ylcyclohexanamine

N-methylprop-1-en-2-amine;N-prop-1-en-2-ylcyclohexanamine (PubChem CID 143490439) has the molecular formula C₁₃H₂₆N₂ and a molecular weight of 210.36 g/mol. Its IUPAC name is N-methylprop-1-en-2-amine;N-prop-1-en-2-ylcyclohexanamine.

Molecular Properties

• Compound Name: N-methylprop-1-en-2-amine;N-prop-1-en-2-ylcyclohexanamine
• PubChem CID: 143490439
• Molecular Formula: C₁₃H₂₆N₂
• Molecular Weight: 210.36 g/mol
• Exact Mass: 210.21
• IUPAC Name: N-methylprop-1-en-2-amine;N-prop-1-en-2-ylcyclohexanamine
• SMILES: C=C(C)NC.C=C(C)NC1CCCCC1
• InChI: InChI=1S/C9H17N.C4H9N/c1-8(2)10-9-6-4-3-5-7-9;1-4(2)5-3/h9-10H,1,3-7H2,2H3;5H,1H2,2-3H3
• InChIKey: ZCMLHXUDMSEVPL-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 24.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	210.36
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-methylprop-1-en-2-amine;N-prop-1-en-2-ylcyclohexanamine?

The IUPAC name of N-methylprop-1-en-2-amine;N-prop-1-en-2-ylcyclohexanamine (CID 143490439) is N-methylprop-1-en-2-amine;N-prop-1-en-2-ylcyclohexanamine.

What is the SMILES notation for N-methylprop-1-en-2-amine;N-prop-1-en-2-ylcyclohexanamine?

The canonical SMILES for N-methylprop-1-en-2-amine;N-prop-1-en-2-ylcyclohexanamine is C=C(C)NC.C=C(C)NC1CCCCC1.

What is the InChIKey of N-methylprop-1-en-2-amine;N-prop-1-en-2-ylcyclohexanamine?

The InChIKey is ZCMLHXUDMSEVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C4H9N/c1-8(2)10-9-6-4-3-5-7-9;1-4(2)5-3/h9-10H,1,3-7H2,2H3;5H,1H2,2-3H3.

What are the key properties of N-methylprop-1-en-2-amine;N-prop-1-en-2-ylcyclohexanamine?

N-methylprop-1-en-2-amine;N-prop-1-en-2-ylcyclohexanamine has a molecular weight of 210.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-methylprop-1-en-2-amine;N-prop-1-en-2-ylcyclohexanamine is sourced from PubChem (CID 143490439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143490439 — identifiers, structure, computed properties (public domain)

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