(3Z)-5-(azetidin-1-yl)-N-ethenyl-N-methylhexa-3,5-dien-2-amine

C12H20N2 — CID 118612553

IUPAC(3Z)-5-(azetidin-1-yl)-N-ethenyl-N-methylhexa-3,5-dien-2-amine
SMILESC=CN(C)C(C)/C=C\C(=C)N1CCC1
InChIInChI=1S/C12H20N2/c1-5-13(4)11(2)7-8-12(3)14-9-6-10-14/h5,7-8,11H,1,3,6,9-10H2,2,4H3/b8-7-
InChIKeyNFYLWVIHUNAJCS-FPLPWBNLSA-N
MW192.31 g/mol
LogP2.23
Rot. Bonds5

About (3Z)-5-(azetidin-1-yl)-N-ethenyl-N-methylhexa-3,5-dien-2-amine

(3Z)-5-(azetidin-1-yl)-N-ethenyl-N-methylhexa-3,5-dien-2-amine (PubChem CID 118612553) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (3Z)-5-(azetidin-1-yl)-N-ethenyl-N-methylhexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z)-5-(azetidin-1-yl)-N-ethenyl-N-methylhexa-3,5-dien-2-amine
PubChem CID118612553
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(3Z)-5-(azetidin-1-yl)-N-ethenyl-N-methylhexa-3,5-dien-2-amine
SMILESC=CN(C)C(C)/C=C\C(=C)N1CCC1
InChIInChI=1S/C12H20N2/c1-5-13(4)11(2)7-8-12(3)14-9-6-10-14/h5,7-8,11H,1,3,6,9-10H2,2,4H3/b8-7-
InChIKeyNFYLWVIHUNAJCS-FPLPWBNLSA-N
XLogP2.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(azetidin-1-yl)-N-ethenyl-N-methylhexa-3,5-dien-2-amine?
The IUPAC name of (3Z)-5-(azetidin-1-yl)-N-ethenyl-N-methylhexa-3,5-dien-2-amine (CID 118612553) is (3Z)-5-(azetidin-1-yl)-N-ethenyl-N-methylhexa-3,5-dien-2-amine.
What is the SMILES notation for (3Z)-5-(azetidin-1-yl)-N-ethenyl-N-methylhexa-3,5-dien-2-amine?
The canonical SMILES for (3Z)-5-(azetidin-1-yl)-N-ethenyl-N-methylhexa-3,5-dien-2-amine is C=CN(C)C(C)/C=C\C(=C)N1CCC1.
What is the InChIKey of (3Z)-5-(azetidin-1-yl)-N-ethenyl-N-methylhexa-3,5-dien-2-amine?
The InChIKey is NFYLWVIHUNAJCS-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-13(4)11(2)7-8-12(3)14-9-6-10-14/h5,7-8,11H,1,3,6,9-10H2,2,4H3/b8-7-.
What are the key properties of (3Z)-5-(azetidin-1-yl)-N-ethenyl-N-methylhexa-3,5-dien-2-amine?
(3Z)-5-(azetidin-1-yl)-N-ethenyl-N-methylhexa-3,5-dien-2-amine has a molecular weight of 192.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(azetidin-1-yl)-N-ethenyl-N-methylhexa-3,5-dien-2-amine is sourced from PubChem (CID 118612553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).