1-(5-methylhept-6-ynyl)azetidine

C11H19N — CID 163432114

IUPAC1-(5-methylhept-6-ynyl)azetidine
SMILESC#CC(C)CCCCN1CCC1
InChIInChI=1S/C11H19N/c1-3-11(2)7-4-5-8-12-9-6-10-12/h1,11H,4-10H2,2H3
InChIKeyARJVCPHFWKQIRR-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.13
Rot. Bonds5

About 1-(5-methylhept-6-ynyl)azetidine

1-(5-methylhept-6-ynyl)azetidine (PubChem CID 163432114) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-(5-methylhept-6-ynyl)azetidine.

Molecular Properties

Compound Name1-(5-methylhept-6-ynyl)azetidine
PubChem CID163432114
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-(5-methylhept-6-ynyl)azetidine
SMILESC#CC(C)CCCCN1CCC1
InChIInChI=1S/C11H19N/c1-3-11(2)7-4-5-8-12-9-6-10-12/h1,11H,4-10H2,2H3
InChIKeyARJVCPHFWKQIRR-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-pyrrolidin-1-ylpentanoic acid
CID 104686947
1-(5-methylhexyl)-1,5-diazocane
CID 115326852
5-(azepan-1-yl)-2-methylpentanoic acid
CID 104686956
1-hexylpyrrolidine;propan-2-amine
CID 166169325
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
methane;1-(3-methylbutyl)pyrrolidine
CID 143832561
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
1-pent-4-ynylpyrrolidine
CID 82363312
1-heptylazetidine
CID 134402356
1-(4-pentylnonyl)piperidine
CID 68557490
5-(azocan-1-yl)pentanenitrile
CID 60688798

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhept-6-ynyl)azetidine?
The IUPAC name of 1-(5-methylhept-6-ynyl)azetidine (CID 163432114) is 1-(5-methylhept-6-ynyl)azetidine.
What is the SMILES notation for 1-(5-methylhept-6-ynyl)azetidine?
The canonical SMILES for 1-(5-methylhept-6-ynyl)azetidine is C#CC(C)CCCCN1CCC1.
What is the InChIKey of 1-(5-methylhept-6-ynyl)azetidine?
The InChIKey is ARJVCPHFWKQIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-11(2)7-4-5-8-12-9-6-10-12/h1,11H,4-10H2,2H3.
What are the key properties of 1-(5-methylhept-6-ynyl)azetidine?
1-(5-methylhept-6-ynyl)azetidine has a molecular weight of 165.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhept-6-ynyl)azetidine is sourced from PubChem (CID 163432114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).