N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine

C17H33NO — CID 173413041

IUPACN-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine
SMILESCOC(C)(C)CCCC(C)=CCNC1CCCCC1
InChIInChI=1S/C17H33NO/c1-15(9-8-13-17(2,3)19-4)12-14-18-16-10-6-5-7-11-16/h12,16,18H,5-11,13-14H2,1-4H3
InChIKeyHAHTZIJWCLKCJZ-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.45
Rot. Bonds8

About N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine

N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine (PubChem CID 173413041) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine.

Molecular Properties

Compound NameN-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine
PubChem CID173413041
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine
SMILESCOC(C)(C)CCCC(C)=CCNC1CCCCC1
InChIInChI=1S/C17H33NO/c1-15(9-8-13-17(2,3)19-4)12-14-18-16-10-6-5-7-11-16/h12,16,18H,5-11,13-14H2,1-4H3
InChIKeyHAHTZIJWCLKCJZ-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine?
The IUPAC name of N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine (CID 173413041) is N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine.
What is the SMILES notation for N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine?
The canonical SMILES for N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine is COC(C)(C)CCCC(C)=CCNC1CCCCC1.
What is the InChIKey of N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine?
The InChIKey is HAHTZIJWCLKCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-15(9-8-13-17(2,3)19-4)12-14-18-16-10-6-5-7-11-16/h12,16,18H,5-11,13-14H2,1-4H3.
What are the key properties of N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine?
N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine has a molecular weight of 267.46 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine is sourced from PubChem (CID 173413041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).