2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol

C10H19NO — CID 130589356

IUPAC2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol
SMILESCC(C)(N)C(O)C1=CCCCC1
InChIInChI=1S/C10H19NO/c1-10(2,11)9(12)8-6-4-3-5-7-8/h6,9,12H,3-5,7,11H2,1-2H3
InChIKeyLDRVDHYLDWVNDX-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.59
Rot. Bonds2

About 2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol

2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol (PubChem CID 130589356) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol
PubChem CID130589356
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol
SMILESCC(C)(N)C(O)C1=CCCCC1
InChIInChI=1S/C10H19NO/c1-10(2,11)9(12)8-6-4-3-5-7-8/h6,9,12H,3-5,7,11H2,1-2H3
InChIKeyLDRVDHYLDWVNDX-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexen-1-ylmethanediol
CID 21392290
1-[(1S,2R)-1-tert-butyl-2-(cyclohexen-1-yl)-3,3-dimethylbutyl]cyclohexene
CID 6432601
1-[(3R,4R)-4-(cyclohexen-1-yl)-2,2,5,5-tetramethylhexan-3-yl]cyclohexene
CID 11141195
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
2-cyclobutyl-1-(cyclopenten-1-yl)-2-methylpropan-1-ol
CID 131182266
1-(cyclohexen-1-yl)ethane-1,1-diamine
CID 22286699
[1-(cyclohepten-1-yl)-2,2-dimethylpropyl]hydrazine
CID 106648666
1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106657751
(4-tert-butylthiadiazol-5-yl)-(cyclohexen-1-yl)methanol
CID 106657926
1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106653532
1-(cyclohexen-1-yl)ethane-1,2-diol
CID 10964616
1-(cyclohexen-1-yl)-2-methylsulfanylethanol
CID 106657946

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol (CID 130589356) is 2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol is CC(C)(N)C(O)C1=CCCCC1.
What is the InChIKey of 2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol?
The InChIKey is LDRVDHYLDWVNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,11)9(12)8-6-4-3-5-7-8/h6,9,12H,3-5,7,11H2,1-2H3.
What are the key properties of 2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol?
2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 130589356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).