2-(cyclopropylmethylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol

C14H25NO — CID 103277769

IUPAC2-(cyclopropylmethylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
SMILESCC1=CC(C)CC(C(CO)NCC2CC2)C1
InChIInChI=1S/C14H25NO/c1-10-5-11(2)7-13(6-10)14(9-16)15-8-12-3-4-12/h5,10,12-16H,3-4,6-9H2,1-2H3
InChIKeyNIEJQKMSMYTOIN-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.34
Rot. Bonds5

About 2-(cyclopropylmethylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol

2-(cyclopropylmethylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol (PubChem CID 103277769) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
PubChem CID103277769
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-(cyclopropylmethylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
SMILESCC1=CC(C)CC(C(CO)NCC2CC2)C1
InChIInChI=1S/C14H25NO/c1-10-5-11(2)7-13(6-10)14(9-16)15-8-12-3-4-12/h5,10,12-16H,3-4,6-9H2,1-2H3
InChIKeyNIEJQKMSMYTOIN-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.34
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
2-(3,5-Dimethylcyclohex-3-en-1-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 113797566
1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-2-(4-ethylcyclohexen-1-yl)ethanol
CID 68097861
2-(2-Cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol
CID 69309809
(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol
CID 70227186
[3-Methyl-3-(4-methylpent-3-enyl)aziridin-2-yl]methanol
CID 73083020
(Cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol
CID 89017600
(3-Cyclohex-2-en-1-yl-2-methylaziridin-2-yl)methanol
CID 89212077
4-[(3-Cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol
CID 91205271
3-Cyclohex-2-en-1-yl-2-(propan-2-ylamino)propan-1-ol
CID 126517201
3-[4-[2-(Prop-2-ynylamino)propyl]cyclohexen-1-yl]propan-1-ol
CID 129045839
(E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol
CID 142141543

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol (CID 103277769) is 2-(cyclopropylmethylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol is CC1=CC(C)CC(C(CO)NCC2CC2)C1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
The InChIKey is NIEJQKMSMYTOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10-5-11(2)7-13(6-10)14(9-16)15-8-12-3-4-12/h5,10,12-16H,3-4,6-9H2,1-2H3.
What are the key properties of 2-(cyclopropylmethylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
2-(cyclopropylmethylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol has a molecular weight of 223.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol is sourced from PubChem (CID 103277769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).