1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine

C17H33NO — CID 103036050

IUPAC1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)CC1=CCCCC1
InChIInChI=1S/C17H33NO/c1-5-13-18-16(11-12-17(2,3)19-4)14-15-9-7-6-8-10-15/h9,16,18H,5-8,10-14H2,1-4H3
InChIKeyOTZFWYIGDMXMAE-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.45
Rot. Bonds9

About 1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine

1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine (PubChem CID 103036050) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine
PubChem CID103036050
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)CC1=CCCCC1
InChIInChI=1S/C17H33NO/c1-5-13-18-16(11-12-17(2,3)19-4)14-15-9-7-6-8-10-15/h9,16,18H,5-8,10-14H2,1-4H3
InChIKeyOTZFWYIGDMXMAE-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine
CID 90836098
N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine
CID 173413041
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147114
N-[2-(cyclohexen-1-yl)ethyl]-2-propan-2-yloxan-4-amine
CID 64097553
N-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-2-methyloxan-4-amine
CID 64100349
N-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine
CID 103028505
2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine
CID 103028506
N-ethyl-2-methoxy-2,7-dimethyloct-7-en-4-amine
CID 103029364
2-methoxy-2,7-dimethyl-N-propyloct-7-en-4-amine
CID 103029365
1-(Cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine
CID 103036047
1-(cyclohexen-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103036048
1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103036049

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine (CID 103036050) is 1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine is CCCNC(CCC(C)(C)OC)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine?
The InChIKey is OTZFWYIGDMXMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-13-18-16(11-12-17(2,3)19-4)14-15-9-7-6-8-10-15/h9,16,18H,5-8,10-14H2,1-4H3.
What are the key properties of 1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine?
1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine has a molecular weight of 267.46 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 103036050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).