1-heptylazetidine

C10H21N — CID 134402356

IUPAC1-heptylazetidine
SMILESCCCCCCCN1CCC1
InChIInChI=1S/C10H21N/c1-2-3-4-5-6-8-11-9-7-10-11/h2-10H2,1H3
InChIKeyBKKOONRDYRQVRX-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.66
Rot. Bonds6

About 1-heptylazetidine

1-heptylazetidine (PubChem CID 134402356) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1-heptylazetidine.

Molecular Properties

Compound Name1-heptylazetidine
PubChem CID134402356
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1-heptylazetidine
SMILESCCCCCCCN1CCC1
InChIInChI=1S/C10H21N/c1-2-3-4-5-6-8-11-9-7-10-11/h2-10H2,1H3
InChIKeyBKKOONRDYRQVRX-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
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1-decylpiperidine
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1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1-tetradecylpiperidine;hydrochloride
CID 71325293
CID 162323144
CID 162323144
ethane;1-nonylpiperidine
CID 177011009
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
2-(4-octyl-1,4-diazepan-1-yl)ethanol
CID 63309782
4-(4-nonyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252867

Frequently Asked Questions

What is the IUPAC name of 1-heptylazetidine?
The IUPAC name of 1-heptylazetidine (CID 134402356) is 1-heptylazetidine.
What is the SMILES notation for 1-heptylazetidine?
The canonical SMILES for 1-heptylazetidine is CCCCCCCN1CCC1.
What is the InChIKey of 1-heptylazetidine?
The InChIKey is BKKOONRDYRQVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-2-3-4-5-6-8-11-9-7-10-11/h2-10H2,1H3.
What are the key properties of 1-heptylazetidine?
1-heptylazetidine has a molecular weight of 155.28 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptylazetidine is sourced from PubChem (CID 134402356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).