1-heptan-3-ylazetidine

C10H21N — CID 172721722

IUPAC1-heptan-3-ylazetidine
SMILESCCCCC(CC)N1CCC1
InChIInChI=1S/C10H21N/c1-3-5-7-10(4-2)11-8-6-9-11/h10H,3-9H2,1-2H3
InChIKeyGPHNWTYGYXXJPZ-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.66
Rot. Bonds5

About 1-heptan-3-ylazetidine

1-heptan-3-ylazetidine (PubChem CID 172721722) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1-heptan-3-ylazetidine.

Molecular Properties

Compound Name1-heptan-3-ylazetidine
PubChem CID172721722
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1-heptan-3-ylazetidine
SMILESCCCCC(CC)N1CCC1
InChIInChI=1S/C10H21N/c1-3-5-7-10(4-2)11-8-6-9-11/h10H,3-9H2,1-2H3
InChIKeyGPHNWTYGYXXJPZ-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

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Related Compounds

1-[(4R)-octan-4-yl]azetidine
CID 170061956
1-decan-3-ylpiperidine
CID 68984931
1-octan-4-ylazonane
CID 123427772
methane;1-octan-4-ylpiperidine
CID 143122058
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
1-heptan-3-ylpiperidin-4-one
CID 22937465
1-hexan-3-yl-4-methyl-1,4-diazepane
CID 170392230
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
1-heptan-3-ylpiperidine-4-carbonitrile
CID 123605422
1-decan-4-ylpiperidine
CID 142178259

Frequently Asked Questions

What is the IUPAC name of 1-heptan-3-ylazetidine?
The IUPAC name of 1-heptan-3-ylazetidine (CID 172721722) is 1-heptan-3-ylazetidine.
What is the SMILES notation for 1-heptan-3-ylazetidine?
The canonical SMILES for 1-heptan-3-ylazetidine is CCCCC(CC)N1CCC1.
What is the InChIKey of 1-heptan-3-ylazetidine?
The InChIKey is GPHNWTYGYXXJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-3-5-7-10(4-2)11-8-6-9-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-heptan-3-ylazetidine?
1-heptan-3-ylazetidine has a molecular weight of 155.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-3-ylazetidine is sourced from PubChem (CID 172721722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).