[(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol

C₁₀H₁₉NO₂ — CID 130987505

About [(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol

[(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol (PubChem CID 130987505) has the molecular formula C₁₀H₁₉NO₂ and a molecular weight of 185.27 g/mol. Its IUPAC name is [(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol.

Molecular Properties

• Compound Name: [(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol
• PubChem CID: 130987505
• Molecular Formula: C₁₀H₁₉NO₂
• Molecular Weight: 185.27 g/mol
• Exact Mass: 185.14
• IUPAC Name: [(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol
• SMILES: OC[C@@H]1C[C@H]1NC1CCCOCC1
• InChI: InChI=1S/C10H19NO2/c12-7-8-6-10(8)11-9-2-1-4-13-5-3-9/h8-12H,1-7H2/t8-,9?,10+/m0/s1
• InChIKey: HMXJHBDQLKJDDP-DJBFQZMMSA-N
• XLogP: 0.53
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	185.27
LogP ≤ 5	0.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol?

The IUPAC name of [(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol (CID 130987505) is [(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol.

What is the SMILES notation for [(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol?

The canonical SMILES for [(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol is OC[C@@H]1C[C@H]1NC1CCCOCC1.

What is the InChIKey of [(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol?

The InChIKey is HMXJHBDQLKJDDP-DJBFQZMMSA-N. The full InChI is InChI=1S/C10H19NO2/c12-7-8-6-10(8)11-9-2-1-4-13-5-3-9/h8-12H,1-7H2/t8-,9?,10+/m0/s1.

What are the key properties of [(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol?

[(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol has a molecular weight of 185.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol is sourced from PubChem (CID 130987505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130987505 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.