(Z)-3-[1-(2,2-dimethylpropyl)-7-methylazepan-4-yl]prop-2-en-1-ol

C15H29NO — CID 169234868

IUPAC(Z)-3-[1-(2,2-dimethylpropyl)-7-methylazepan-4-yl]prop-2-en-1-ol
SMILESCC1CCC(/C=C\CO)CCN1CC(C)(C)C
InChIInChI=1S/C15H29NO/c1-13-7-8-14(6-5-11-17)9-10-16(13)12-15(2,3)4/h5-6,13-14,17H,7-12H2,1-4H3/b6-5-
InChIKeyGDVLNPWDJHBAHK-WAYWQWQTSA-N
MW239.40 g/mol
LogP3.07
Rot. Bonds3

About (Z)-3-[1-(2,2-dimethylpropyl)-7-methylazepan-4-yl]prop-2-en-1-ol

(Z)-3-[1-(2,2-dimethylpropyl)-7-methylazepan-4-yl]prop-2-en-1-ol (PubChem CID 169234868) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (Z)-3-[1-(2,2-dimethylpropyl)-7-methylazepan-4-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-[1-(2,2-dimethylpropyl)-7-methylazepan-4-yl]prop-2-en-1-ol
PubChem CID169234868
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(Z)-3-[1-(2,2-dimethylpropyl)-7-methylazepan-4-yl]prop-2-en-1-ol
SMILESCC1CCC(/C=C\CO)CCN1CC(C)(C)C
InChIInChI=1S/C15H29NO/c1-13-7-8-14(6-5-11-17)9-10-16(13)12-15(2,3)4/h5-6,13-14,17H,7-12H2,1-4H3/b6-5-
InChIKeyGDVLNPWDJHBAHK-WAYWQWQTSA-N
XLogP3.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.07
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 (Z)-3-[1-(2,2-dimethylpropyl)-7-methylazepan-4-yl]prop-2-en-1-ol?
The IUPAC name of (Z)-3-[1-(2,2-dimethylpropyl)-7-methylazepan-4-yl]prop-2-en-1-ol (CID 169234868) is (Z)-3-[1-(2,2-dimethylpropyl)-7-methylazepan-4-yl]prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-[1-(2,2-dimethylpropyl)-7-methylazepan-4-yl]prop-2-en-1-ol?
The canonical SMILES for (Z)-3-[1-(2,2-dimethylpropyl)-7-methylazepan-4-yl]prop-2-en-1-ol is CC1CCC(/C=C\CO)CCN1CC(C)(C)C.
What is the InChIKey of (Z)-3-[1-(2,2-dimethylpropyl)-7-methylazepan-4-yl]prop-2-en-1-ol?
The InChIKey is GDVLNPWDJHBAHK-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H29NO/c1-13-7-8-14(6-5-11-17)9-10-16(13)12-15(2,3)4/h5-6,13-14,17H,7-12H2,1-4H3/b6-5-.
What are the key properties of (Z)-3-[1-(2,2-dimethylpropyl)-7-methylazepan-4-yl]prop-2-en-1-ol?
(Z)-3-[1-(2,2-dimethylpropyl)-7-methylazepan-4-yl]prop-2-en-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[1-(2,2-dimethylpropyl)-7-methylazepan-4-yl]prop-2-en-1-ol is sourced from PubChem (CID 169234868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).