2-(aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol

C11H21NO — CID 13460671

IUPAC2-(aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol
SMILESCCC(CN)(CO)C1=CCCCC1
InChIInChI=1S/C11H21NO/c1-2-11(8-12,9-13)10-6-4-3-5-7-10/h6,13H,2-5,7-9,12H2,1H3
InChIKeyZQJUPIBYQQKXCR-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.83
Rot. Bonds4

About 2-(aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol

2-(aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol (PubChem CID 13460671) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol
PubChem CID13460671
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol
SMILESCCC(CN)(CO)C1=CCCCC1
InChIInChI=1S/C11H21NO/c1-2-11(8-12,9-13)10-6-4-3-5-7-10/h6,13H,2-5,7-9,12H2,1H3
InChIKeyZQJUPIBYQQKXCR-UHFFFAOYSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.83
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

2-(Aminomethyl)-2-(((1r,5s)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)-4-methylpentan-1-ol
CID 169490535
(2R,3R)-2-amino-3-(4-tert-butylcyclohexen-1-yl)butan-1-ol
CID 71002952
2-Amino-3-(4-tert-butylcyclohexen-1-yl)butan-1-ol
CID 77978667
[4-[(Chloroamino)methyl]-1-methylcyclohex-3-en-1-yl]methanol
CID 88270789
Amino-(2-ethylcyclohex-2-en-1-yl)methanol
CID 123580347
(11Z,14Z)-2-(1-aminoethyl)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dien-1-ol
CID 129069273
(11Z,14Z)-2-(aminomethyl)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dien-1-ol
CID 142315405
2-Amino-3-(4-tert-butylcyclohexen-1-yl)propan-1-ol
CID 144469298
4-(3-Aminocyclohexen-1-yl)-3-methylbutan-1-ol
CID 147331080
2-[4-(2-Aminoethyl)cyclohex-3-en-1-yl]ethanol
CID 155084668
2-(Aminomethyl)-2-ethyloct-7-en-1-ol
CID 155484567
[4-(2-Aminopropyl)-6-methylcyclohex-3-en-1-yl]oxidanium
CID 163463714

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol (CID 13460671) is 2-(aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol is CCC(CN)(CO)C1=CCCCC1.
What is the InChIKey of 2-(aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol?
The InChIKey is ZQJUPIBYQQKXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-11(8-12,9-13)10-6-4-3-5-7-10/h6,13H,2-5,7-9,12H2,1H3.
What are the key properties of 2-(aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol?
2-(aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol is sourced from PubChem (CID 13460671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).