3-prop-1-en-2-yl-1-(3-propylhexyl)azetidine

C15H29N — CID 146640840

IUPAC3-prop-1-en-2-yl-1-(3-propylhexyl)azetidine
SMILESC=C(C)C1CN(CCC(CCC)CCC)C1
InChIInChI=1S/C15H29N/c1-5-7-14(8-6-2)9-10-16-11-15(12-16)13(3)4/h14-15H,3,5-12H2,1-2,4H3
InChIKeyCEHGGASQEMMVSJ-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.10
Rot. Bonds8

About 3-prop-1-en-2-yl-1-(3-propylhexyl)azetidine

3-prop-1-en-2-yl-1-(3-propylhexyl)azetidine (PubChem CID 146640840) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-1-(3-propylhexyl)azetidine.

Molecular Properties

Compound Name3-prop-1-en-2-yl-1-(3-propylhexyl)azetidine
PubChem CID146640840
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name3-prop-1-en-2-yl-1-(3-propylhexyl)azetidine
SMILESC=C(C)C1CN(CCC(CCC)CCC)C1
InChIInChI=1S/C15H29N/c1-5-7-14(8-6-2)9-10-16-11-15(12-16)13(3)4/h14-15H,3,5-12H2,1-2,4H3
InChIKeyCEHGGASQEMMVSJ-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yl-1-(3-propylhexyl)azetidine?
The IUPAC name of 3-prop-1-en-2-yl-1-(3-propylhexyl)azetidine (CID 146640840) is 3-prop-1-en-2-yl-1-(3-propylhexyl)azetidine.
What is the SMILES notation for 3-prop-1-en-2-yl-1-(3-propylhexyl)azetidine?
The canonical SMILES for 3-prop-1-en-2-yl-1-(3-propylhexyl)azetidine is C=C(C)C1CN(CCC(CCC)CCC)C1.
What is the InChIKey of 3-prop-1-en-2-yl-1-(3-propylhexyl)azetidine?
The InChIKey is CEHGGASQEMMVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-5-7-14(8-6-2)9-10-16-11-15(12-16)13(3)4/h14-15H,3,5-12H2,1-2,4H3.
What are the key properties of 3-prop-1-en-2-yl-1-(3-propylhexyl)azetidine?
3-prop-1-en-2-yl-1-(3-propylhexyl)azetidine has a molecular weight of 223.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-1-(3-propylhexyl)azetidine is sourced from PubChem (CID 146640840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).