3-(cyclohex-2-en-1-ylamino)-2-methylpropan-1-ol

C10H19NO — CID 107907092

IUPAC3-(cyclohex-2-en-1-ylamino)-2-methylpropan-1-ol
SMILESCC(CO)CNC1C=CCCC1
InChIInChI=1S/C10H19NO/c1-9(8-12)7-11-10-5-3-2-4-6-10/h3,5,9-12H,2,4,6-8H2,1H3
InChIKeyPZGNTQXDCKYXBU-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.31
Rot. Bonds4

About 3-(cyclohex-2-en-1-ylamino)-2-methylpropan-1-ol

3-(cyclohex-2-en-1-ylamino)-2-methylpropan-1-ol (PubChem CID 107907092) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(cyclohex-2-en-1-ylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(cyclohex-2-en-1-ylamino)-2-methylpropan-1-ol
PubChem CID107907092
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(cyclohex-2-en-1-ylamino)-2-methylpropan-1-ol
SMILESCC(CO)CNC1C=CCCC1
InChIInChI=1S/C10H19NO/c1-9(8-12)7-11-10-5-3-2-4-6-10/h3,5,9-12H,2,4,6-8H2,1H3
InChIKeyPZGNTQXDCKYXBU-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.31
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 3-(cyclohex-2-en-1-ylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(cyclohex-2-en-1-ylamino)-2-methylpropan-1-ol (CID 107907092) is 3-(cyclohex-2-en-1-ylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(cyclohex-2-en-1-ylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(cyclohex-2-en-1-ylamino)-2-methylpropan-1-ol is CC(CO)CNC1C=CCCC1.
What is the InChIKey of 3-(cyclohex-2-en-1-ylamino)-2-methylpropan-1-ol?
The InChIKey is PZGNTQXDCKYXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(8-12)7-11-10-5-3-2-4-6-10/h3,5,9-12H,2,4,6-8H2,1H3.
What are the key properties of 3-(cyclohex-2-en-1-ylamino)-2-methylpropan-1-ol?
3-(cyclohex-2-en-1-ylamino)-2-methylpropan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-2-en-1-ylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 107907092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).