2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol

C14H27NO — CID 106654920

IUPAC2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol
SMILESCC(C)CNCCC(C)(O)C1=CCCCC1
InChIInChI=1S/C14H27NO/c1-12(2)11-15-10-9-14(3,16)13-7-5-4-6-8-13/h7,12,15-16H,4-6,8-11H2,1-3H3
InChIKeyIPMTWKCNLKSRQU-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.87
Rot. Bonds6

About 2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol

2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol (PubChem CID 106654920) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol
PubChem CID106654920
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol
SMILESCC(C)CNCCC(C)(O)C1=CCCCC1
InChIInChI=1S/C14H27NO/c1-12(2)11-15-10-9-14(3,16)13-7-5-4-6-8-13/h7,12,15-16H,4-6,8-11H2,1-3H3
InChIKeyIPMTWKCNLKSRQU-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol
CID 106654909
2-(cyclohexen-1-yl)pentane-2,4-diol
CID 14546133
2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 116662398
2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003662
2-[(1E)-cyclododecen-1-yl]propan-2-ol
CID 88736896
4-(2-methylpropylamino)-2-(5-methylthiophen-2-yl)butan-2-ol
CID 66003863
2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol
CID 106651627
2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003253
1-(cyclohexen-1-yl)ethane-1,1-diamine
CID 22286699
2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol
CID 104545017
4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol
CID 66002674
2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol
CID 106651664

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol?
The IUPAC name of 2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol (CID 106654920) is 2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol.
What is the SMILES notation for 2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol?
The canonical SMILES for 2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol is CC(C)CNCCC(C)(O)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol?
The InChIKey is IPMTWKCNLKSRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)11-15-10-9-14(3,16)13-7-5-4-6-8-13/h7,12,15-16H,4-6,8-11H2,1-3H3.
What are the key properties of 2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol?
2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol has a molecular weight of 225.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol is sourced from PubChem (CID 106654920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).