1-(7-methyltridecan-7-yl)-3-prop-1-enyl-3-propylazetidine

C23H45N — CID 170265109

IUPAC1-(7-methyltridecan-7-yl)-3-prop-1-enyl-3-propylazetidine
SMILESCC=CC1(CCC)CN(C(C)(CCCCCC)CCCCCC)C1
InChIInChI=1S/C23H45N/c1-6-10-12-14-18-22(5,19-15-13-11-7-2)24-20-23(21-24,16-8-3)17-9-4/h8,16H,6-7,9-15,17-21H2,1-5H3
InChIKeyRLKMXAJNXWBSIY-UHFFFAOYSA-N
MW335.62 g/mol
LogP7.36
Rot. Bonds14

About 1-(7-methyltridecan-7-yl)-3-prop-1-enyl-3-propylazetidine

1-(7-methyltridecan-7-yl)-3-prop-1-enyl-3-propylazetidine (PubChem CID 170265109) has the molecular formula C23H45N and a molecular weight of 335.62 g/mol. Its IUPAC name is 1-(7-methyltridecan-7-yl)-3-prop-1-enyl-3-propylazetidine.

Molecular Properties

Compound Name1-(7-methyltridecan-7-yl)-3-prop-1-enyl-3-propylazetidine
PubChem CID170265109
Molecular FormulaC23H45N
Molecular Weight335.62 g/mol
Exact Mass335.36
IUPAC Name1-(7-methyltridecan-7-yl)-3-prop-1-enyl-3-propylazetidine
SMILESCC=CC1(CCC)CN(C(C)(CCCCCC)CCCCCC)C1
InChIInChI=1S/C23H45N/c1-6-10-12-14-18-22(5,19-15-13-11-7-2)24-20-23(21-24,16-8-3)17-9-4/h8,16H,6-7,9-15,17-21H2,1-5H3
InChIKeyRLKMXAJNXWBSIY-UHFFFAOYSA-N
XLogP7.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.62
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol
CID 139320078
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1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
1-(6-methyldodecan-6-yl)azetidin-3-amine
CID 130337700
1-methyl-4-(6-methylundecan-6-yl)piperazine
CID 170232998
4-(5-methyldodecan-5-yl)morpholine
CID 138551223
1-(7-methyltetradecan-7-yl)piperidin-3-amine
CID 126486331
4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine
CID 130337153
2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine
CID 63465976
2,2-dioctyldecan-1-ol
CID 87374856
2,2-di(undecyl)tridecan-1-ol
CID 176610401
2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine
CID 80557474

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyltridecan-7-yl)-3-prop-1-enyl-3-propylazetidine?
The IUPAC name of 1-(7-methyltridecan-7-yl)-3-prop-1-enyl-3-propylazetidine (CID 170265109) is 1-(7-methyltridecan-7-yl)-3-prop-1-enyl-3-propylazetidine.
What is the SMILES notation for 1-(7-methyltridecan-7-yl)-3-prop-1-enyl-3-propylazetidine?
The canonical SMILES for 1-(7-methyltridecan-7-yl)-3-prop-1-enyl-3-propylazetidine is CC=CC1(CCC)CN(C(C)(CCCCCC)CCCCCC)C1.
What is the InChIKey of 1-(7-methyltridecan-7-yl)-3-prop-1-enyl-3-propylazetidine?
The InChIKey is RLKMXAJNXWBSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N/c1-6-10-12-14-18-22(5,19-15-13-11-7-2)24-20-23(21-24,16-8-3)17-9-4/h8,16H,6-7,9-15,17-21H2,1-5H3.
What are the key properties of 1-(7-methyltridecan-7-yl)-3-prop-1-enyl-3-propylazetidine?
1-(7-methyltridecan-7-yl)-3-prop-1-enyl-3-propylazetidine has a molecular weight of 335.62 g/mol, XLogP of 7.36, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyltridecan-7-yl)-3-prop-1-enyl-3-propylazetidine is sourced from PubChem (CID 170265109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).