2-[(1S)-4-(aminomethyl)cyclohex-3-en-1-yl]propan-2-ol

C10H19NO — CID 59104125

IUPAC2-[(1S)-4-(aminomethyl)cyclohex-3-en-1-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CC=C(CN)CC1
InChIInChI=1S/C10H19NO/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3,9,12H,4-7,11H2,1-2H3/t9-/m1/s1
InChIKeyWNVQWVQJQCKOML-SECBINFHSA-N
MW169.27 g/mol
LogP1.44
Rot. Bonds2

About 2-[(1S)-4-(aminomethyl)cyclohex-3-en-1-yl]propan-2-ol

2-[(1S)-4-(aminomethyl)cyclohex-3-en-1-yl]propan-2-ol (PubChem CID 59104125) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[(1S)-4-(aminomethyl)cyclohex-3-en-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1S)-4-(aminomethyl)cyclohex-3-en-1-yl]propan-2-ol
PubChem CID59104125
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[(1S)-4-(aminomethyl)cyclohex-3-en-1-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CC=C(CN)CC1
InChIInChI=1S/C10H19NO/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3,9,12H,4-7,11H2,1-2H3/t9-/m1/s1
InChIKeyWNVQWVQJQCKOML-SECBINFHSA-N
XLogP1.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-4-(aminomethyl)cyclohex-3-en-1-yl]propan-2-ol?
The IUPAC name of 2-[(1S)-4-(aminomethyl)cyclohex-3-en-1-yl]propan-2-ol (CID 59104125) is 2-[(1S)-4-(aminomethyl)cyclohex-3-en-1-yl]propan-2-ol.
What is the SMILES notation for 2-[(1S)-4-(aminomethyl)cyclohex-3-en-1-yl]propan-2-ol?
The canonical SMILES for 2-[(1S)-4-(aminomethyl)cyclohex-3-en-1-yl]propan-2-ol is CC(C)(O)[C@@H]1CC=C(CN)CC1.
What is the InChIKey of 2-[(1S)-4-(aminomethyl)cyclohex-3-en-1-yl]propan-2-ol?
The InChIKey is WNVQWVQJQCKOML-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3,9,12H,4-7,11H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-[(1S)-4-(aminomethyl)cyclohex-3-en-1-yl]propan-2-ol?
2-[(1S)-4-(aminomethyl)cyclohex-3-en-1-yl]propan-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-4-(aminomethyl)cyclohex-3-en-1-yl]propan-2-ol is sourced from PubChem (CID 59104125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).