3,5,6-trimethyl-5-[2-(3-methylazepan-3-yl)ethyl]hept-6-en-1-ol

C19H37NO — CID 163566505

IUPAC3,5,6-trimethyl-5-[2-(3-methylazepan-3-yl)ethyl]hept-6-en-1-ol
SMILESC=C(C)C(C)(CCC1(C)CCCCNC1)CC(C)CCO
InChIInChI=1S/C19H37NO/c1-16(2)19(5,14-17(3)8-13-21)11-10-18(4)9-6-7-12-20-15-18/h17,20-21H,1,6-15H2,2-5H3
InChIKeyFVQVCRQTSOPZRA-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.54
Rot. Bonds8

About 3,5,6-trimethyl-5-[2-(3-methylazepan-3-yl)ethyl]hept-6-en-1-ol

3,5,6-trimethyl-5-[2-(3-methylazepan-3-yl)ethyl]hept-6-en-1-ol (PubChem CID 163566505) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 3,5,6-trimethyl-5-[2-(3-methylazepan-3-yl)ethyl]hept-6-en-1-ol.

Molecular Properties

Compound Name3,5,6-trimethyl-5-[2-(3-methylazepan-3-yl)ethyl]hept-6-en-1-ol
PubChem CID163566505
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name3,5,6-trimethyl-5-[2-(3-methylazepan-3-yl)ethyl]hept-6-en-1-ol
SMILESC=C(C)C(C)(CCC1(C)CCCCNC1)CC(C)CCO
InChIInChI=1S/C19H37NO/c1-16(2)19(5,14-17(3)8-13-21)11-10-18(4)9-6-7-12-20-15-18/h17,20-21H,1,6-15H2,2-5H3
InChIKeyFVQVCRQTSOPZRA-UHFFFAOYSA-N
XLogP4.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.54
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

(3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol
CID 144711875
N-ethylbutan-1-amine;10-methyl-8-methylidenetridecan-1-ol;yttrium
CID 169203527
3-[(5-Methyl-6-methylidene-5-octylpentadecyl)amino]propan-1-ol
CID 170615602

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-5-[2-(3-methylazepan-3-yl)ethyl]hept-6-en-1-ol?
The IUPAC name of 3,5,6-trimethyl-5-[2-(3-methylazepan-3-yl)ethyl]hept-6-en-1-ol (CID 163566505) is 3,5,6-trimethyl-5-[2-(3-methylazepan-3-yl)ethyl]hept-6-en-1-ol.
What is the SMILES notation for 3,5,6-trimethyl-5-[2-(3-methylazepan-3-yl)ethyl]hept-6-en-1-ol?
The canonical SMILES for 3,5,6-trimethyl-5-[2-(3-methylazepan-3-yl)ethyl]hept-6-en-1-ol is C=C(C)C(C)(CCC1(C)CCCCNC1)CC(C)CCO.
What is the InChIKey of 3,5,6-trimethyl-5-[2-(3-methylazepan-3-yl)ethyl]hept-6-en-1-ol?
The InChIKey is FVQVCRQTSOPZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-16(2)19(5,14-17(3)8-13-21)11-10-18(4)9-6-7-12-20-15-18/h17,20-21H,1,6-15H2,2-5H3.
What are the key properties of 3,5,6-trimethyl-5-[2-(3-methylazepan-3-yl)ethyl]hept-6-en-1-ol?
3,5,6-trimethyl-5-[2-(3-methylazepan-3-yl)ethyl]hept-6-en-1-ol has a molecular weight of 295.51 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-5-[2-(3-methylazepan-3-yl)ethyl]hept-6-en-1-ol is sourced from PubChem (CID 163566505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).