3-methyl-1-[(3E,5Z)-3,4,5-trimethylhepta-3,5-dien-2-yl]azetidine

C14H25N — CID 143622741

IUPAC3-methyl-1-[(3E,5Z)-3,4,5-trimethylhepta-3,5-dien-2-yl]azetidine
SMILESC/C=C(C)\C(C)=C(/C)C(C)N1CC(C)C1
InChIInChI=1S/C14H25N/c1-7-11(3)12(4)13(5)14(6)15-8-10(2)9-15/h7,10,14H,8-9H2,1-6H3/b11-7-,13-12+
InChIKeyYRNHXCIQQRADKG-JFJOJTIFSA-N
MW207.36 g/mol
LogP3.63
Rot. Bonds3

About 3-methyl-1-[(3E,5Z)-3,4,5-trimethylhepta-3,5-dien-2-yl]azetidine

3-methyl-1-[(3E,5Z)-3,4,5-trimethylhepta-3,5-dien-2-yl]azetidine (PubChem CID 143622741) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3-methyl-1-[(3E,5Z)-3,4,5-trimethylhepta-3,5-dien-2-yl]azetidine.

Molecular Properties

Compound Name3-methyl-1-[(3E,5Z)-3,4,5-trimethylhepta-3,5-dien-2-yl]azetidine
PubChem CID143622741
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3-methyl-1-[(3E,5Z)-3,4,5-trimethylhepta-3,5-dien-2-yl]azetidine
SMILESC/C=C(C)\C(C)=C(/C)C(C)N1CC(C)C1
InChIInChI=1S/C14H25N/c1-7-11(3)12(4)13(5)14(6)15-8-10(2)9-15/h7,10,14H,8-9H2,1-6H3/b11-7-,13-12+
InChIKeyYRNHXCIQQRADKG-JFJOJTIFSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-(3-methylazetidin-1-yl)pentan-1-ol
CID 106353495
2-(3,5-dimethylpiperidin-1-yl)propanoic acid
CID 20985542
(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 99994089
(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 39257636
3-(3,4-dimethylpyrrolidin-1-yl)butan-2-one
CID 79189312
1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 134062663
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide
CID 94444756
(2S)-N-(3-bromophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430772
(2S)-N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430774
(2R)-2-(3-methylazetidin-1-yl)butan-1-ol
CID 107861648
2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 51170713

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3E,5Z)-3,4,5-trimethylhepta-3,5-dien-2-yl]azetidine?
The IUPAC name of 3-methyl-1-[(3E,5Z)-3,4,5-trimethylhepta-3,5-dien-2-yl]azetidine (CID 143622741) is 3-methyl-1-[(3E,5Z)-3,4,5-trimethylhepta-3,5-dien-2-yl]azetidine.
What is the SMILES notation for 3-methyl-1-[(3E,5Z)-3,4,5-trimethylhepta-3,5-dien-2-yl]azetidine?
The canonical SMILES for 3-methyl-1-[(3E,5Z)-3,4,5-trimethylhepta-3,5-dien-2-yl]azetidine is C/C=C(C)\C(C)=C(/C)C(C)N1CC(C)C1.
What is the InChIKey of 3-methyl-1-[(3E,5Z)-3,4,5-trimethylhepta-3,5-dien-2-yl]azetidine?
The InChIKey is YRNHXCIQQRADKG-JFJOJTIFSA-N. The full InChI is InChI=1S/C14H25N/c1-7-11(3)12(4)13(5)14(6)15-8-10(2)9-15/h7,10,14H,8-9H2,1-6H3/b11-7-,13-12+.
What are the key properties of 3-methyl-1-[(3E,5Z)-3,4,5-trimethylhepta-3,5-dien-2-yl]azetidine?
3-methyl-1-[(3E,5Z)-3,4,5-trimethylhepta-3,5-dien-2-yl]azetidine has a molecular weight of 207.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3E,5Z)-3,4,5-trimethylhepta-3,5-dien-2-yl]azetidine is sourced from PubChem (CID 143622741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).