[2-[(4-methylcyclohexen-1-yl)-(oxolan-3-ylmethylamino)methyl]cyclopropyl]methanol

C17H29NO2 — CID 118657305

IUPAC[2-[(4-methylcyclohexen-1-yl)-(oxolan-3-ylmethylamino)methyl]cyclopropyl]methanol
SMILESCC1CC=C(C(NCC2CCOC2)C2CC2CO)CC1
InChIInChI=1S/C17H29NO2/c1-12-2-4-14(5-3-12)17(16-8-15(16)10-19)18-9-13-6-7-20-11-13/h4,12-13,15-19H,2-3,5-11H2,1H3
InChIKeyZBVRBSXWTJOXIL-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.36
Rot. Bonds6

About [2-[(4-methylcyclohexen-1-yl)-(oxolan-3-ylmethylamino)methyl]cyclopropyl]methanol

[2-[(4-methylcyclohexen-1-yl)-(oxolan-3-ylmethylamino)methyl]cyclopropyl]methanol (PubChem CID 118657305) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is [2-[(4-methylcyclohexen-1-yl)-(oxolan-3-ylmethylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[2-[(4-methylcyclohexen-1-yl)-(oxolan-3-ylmethylamino)methyl]cyclopropyl]methanol
PubChem CID118657305
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name[2-[(4-methylcyclohexen-1-yl)-(oxolan-3-ylmethylamino)methyl]cyclopropyl]methanol
SMILESCC1CC=C(C(NCC2CCOC2)C2CC2CO)CC1
InChIInChI=1S/C17H29NO2/c1-12-2-4-14(5-3-12)17(16-8-15(16)10-19)18-9-13-6-7-20-11-13/h4,12-13,15-19H,2-3,5-11H2,1H3
InChIKeyZBVRBSXWTJOXIL-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylcyclohexen-1-yl)-(oxolan-3-ylmethylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [2-[(4-methylcyclohexen-1-yl)-(oxolan-3-ylmethylamino)methyl]cyclopropyl]methanol (CID 118657305) is [2-[(4-methylcyclohexen-1-yl)-(oxolan-3-ylmethylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [2-[(4-methylcyclohexen-1-yl)-(oxolan-3-ylmethylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [2-[(4-methylcyclohexen-1-yl)-(oxolan-3-ylmethylamino)methyl]cyclopropyl]methanol is CC1CC=C(C(NCC2CCOC2)C2CC2CO)CC1.
What is the InChIKey of [2-[(4-methylcyclohexen-1-yl)-(oxolan-3-ylmethylamino)methyl]cyclopropyl]methanol?
The InChIKey is ZBVRBSXWTJOXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-12-2-4-14(5-3-12)17(16-8-15(16)10-19)18-9-13-6-7-20-11-13/h4,12-13,15-19H,2-3,5-11H2,1H3.
What are the key properties of [2-[(4-methylcyclohexen-1-yl)-(oxolan-3-ylmethylamino)methyl]cyclopropyl]methanol?
[2-[(4-methylcyclohexen-1-yl)-(oxolan-3-ylmethylamino)methyl]cyclopropyl]methanol has a molecular weight of 279.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylcyclohexen-1-yl)-(oxolan-3-ylmethylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 118657305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).