Trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine

C₈H₁₇NO — CID 130921581

About Trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine

Trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine (PubChem CID 130921581) has the molecular formula C₈H₁₇NO and a molecular weight of 143.23 g/mol. Its IUPAC name is trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine.

Molecular Properties

• Compound Name: Trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine
• PubChem CID: 130921581
• Molecular Formula: C₈H₁₇NO
• Molecular Weight: 143.23 g/mol
• Exact Mass: 143.13
• IUPAC Name: trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine
• SMILES: COCC(C)N[C@@H]1C[C@H]1C
• InChI: InChI=1S/C8H17NO/c1-6-4-8(6)9-7(2)5-10-3/h6-9H,4-5H2,1-3H3/t6-,7?,8-/m1/s1
• InChIKey: QESIPLZOUHWIDR-OECOWPMFSA-N
• XLogP: 1.02
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	143.23
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine?

The IUPAC name of Trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine (CID 130921581) is trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine.

What is the SMILES notation for Trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine?

The canonical SMILES for Trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine is COCC(C)N[C@@H]1C[C@H]1C.

What is the InChIKey of Trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine?

The InChIKey is QESIPLZOUHWIDR-OECOWPMFSA-N. The full InChI is InChI=1S/C8H17NO/c1-6-4-8(6)9-7(2)5-10-3/h6-9H,4-5H2,1-3H3/t6-,7?,8-/m1/s1.

What are the key properties of Trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine?

Trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine is sourced from PubChem (CID 130921581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130921581 — identifiers, structure, computed properties (public domain)

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