N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine

C19H24N4 — CID 126919881

IUPACN-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
SMILESCN(Cc1ccccc1)C1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C19H24N4/c1-22(12-15-7-3-2-4-8-15)17-13-23(14-17)19-11-16-9-5-6-10-18(16)20-21-19/h2-4,7-8,11,17H,5-6,9-10,12-14H2,1H3
InChIKeyWBNOOPCVMKPNHI-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.68
Rot. Bonds4

About N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine

N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine (PubChem CID 126919881) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
PubChem CID126919881
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC NameN-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
SMILESCN(Cc1ccccc1)C1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C19H24N4/c1-22(12-15-7-3-2-4-8-15)17-13-23(14-17)19-11-16-9-5-6-10-18(16)20-21-19/h2-4,7-8,11,17H,5-6,9-10,12-14H2,1H3
InChIKeyWBNOOPCVMKPNHI-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
The IUPAC name of N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine (CID 126919881) is N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine.
What is the SMILES notation for N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
The canonical SMILES for N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine is CN(Cc1ccccc1)C1CN(c2cc3c(nn2)CCCC3)C1.
What is the InChIKey of N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
The InChIKey is WBNOOPCVMKPNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-22(12-15-7-3-2-4-8-15)17-13-23(14-17)19-11-16-9-5-6-10-18(16)20-21-19/h2-4,7-8,11,17H,5-6,9-10,12-14H2,1H3.
What are the key properties of N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine has a molecular weight of 308.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine is sourced from PubChem (CID 126919881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).