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

C10H19NO2 — CID 130987505

IUPAC[(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol
SMILESOC[C@@H]1C[C@H]1NC1CCCOCC1
InChIInChI=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
InChIKeyHMXJHBDQLKJDDP-DJBFQZMMSA-N
MW185.27 g/mol
LogP0.53
Rot. Bonds3

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 CID130987505
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name[(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol
SMILESOC[C@@H]1C[C@H]1NC1CCCOCC1
InChIInChI=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
InChIKeyHMXJHBDQLKJDDP-DJBFQZMMSA-N
XLogP0.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S,3R,5R)-3-(cyclobutylamino)-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 75529441
N-cyclobutyloxepan-4-amine
CID 65079311
N-cyclooctyloxepan-4-amine
CID 65076823
N-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine
CID 65079209
[3-(oxan-4-ylamino)cyclobutyl]methanol
CID 164662174
N-(2-phenylcyclopropyl)oxepan-4-amine
CID 65081970
N-cyclopentyloxan-4-amine
CID 28694035
cis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-1-ol
CID 93277667
N-(3-methylcyclobutyl)oxepan-4-amine
CID 115892454
N-cyclododecyloxan-4-amine
CID 43609748
N-cyclobutyloxan-4-amine;hydrochloride
CID 155970514
2-(oxepan-4-ylamino)cyclopentane-1-carbonitrile
CID 65078874

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).