3-(cyclohex-2-en-1-ylamino)-4,4-dimethylpentan-1-ol

C13H25NO — CID 104628153

IUPAC3-(cyclohex-2-en-1-ylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NC1C=CCCC1
InChIInChI=1S/C13H25NO/c1-13(2,3)12(9-10-15)14-11-7-5-4-6-8-11/h5,7,11-12,14-15H,4,6,8-10H2,1-3H3
InChIKeyAPCJUXQGMBFQCY-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds4

About 3-(cyclohex-2-en-1-ylamino)-4,4-dimethylpentan-1-ol

3-(cyclohex-2-en-1-ylamino)-4,4-dimethylpentan-1-ol (PubChem CID 104628153) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(cyclohex-2-en-1-ylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(cyclohex-2-en-1-ylamino)-4,4-dimethylpentan-1-ol
PubChem CID104628153
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-(cyclohex-2-en-1-ylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NC1C=CCCC1
InChIInChI=1S/C13H25NO/c1-13(2,3)12(9-10-15)14-11-7-5-4-6-8-11/h5,7,11-12,14-15H,4,6,8-10H2,1-3H3
InChIKeyAPCJUXQGMBFQCY-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.48
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-(Cyclohex-3-en-1-ylmethylamino)-2-methylpentan-1-ol
CID 75387507
4-[[(1S)-cyclohex-3-en-1-yl]methylamino]-3,3-dimethylbutan-1-ol
CID 97240121
2-Hydroxyethyl-2-azaspiro-[5.5]-undec-7-ene
CID 20403159
[(1S,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol
CID 58168867
[[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol
CID 67121495
(Z)-2-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)hept-4-en-1-ol
CID 68213313
1-[(4-Amino-6-methylcyclohex-2-en-1-yl)amino]but-3-en-1-ol
CID 89163851
(S)-butylamino(cyclohex-3-en-1-yl)methanol
CID 118933791
3-[[4-(Aminomethyl)cyclopent-2-en-1-yl]amino]-2,2-dimethyl-1-(methylamino)propan-1-ol
CID 123606717
5-(2-Hydroxyethylamino)-2-methylcyclohex-3-en-1-ol
CID 123971103
2-Tert-butyl-1-(hepta-4,6-dien-3-ylamino)-4,4-dimethylpentan-1-ol
CID 123983479
(3R)-3-[[(1S)-1-methylcyclohexa-2,4-dien-1-yl]methylamino]butan-1-ol
CID 140710939

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-2-en-1-ylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(cyclohex-2-en-1-ylamino)-4,4-dimethylpentan-1-ol (CID 104628153) is 3-(cyclohex-2-en-1-ylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(cyclohex-2-en-1-ylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(cyclohex-2-en-1-ylamino)-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)NC1C=CCCC1.
What is the InChIKey of 3-(cyclohex-2-en-1-ylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is APCJUXQGMBFQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,3)12(9-10-15)14-11-7-5-4-6-8-11/h5,7,11-12,14-15H,4,6,8-10H2,1-3H3.
What are the key properties of 3-(cyclohex-2-en-1-ylamino)-4,4-dimethylpentan-1-ol?
3-(cyclohex-2-en-1-ylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.48, 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)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104628153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).