N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine

C21H26N4 — CID 126919393

IUPACN-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCC1CN(c3cc4c(nn3)CCCC4)C1)C2
InChIInChI=1S/C21H26N4/c1-2-6-17-10-19(9-16(17)5-1)22-12-15-13-25(14-15)21-11-18-7-3-4-8-20(18)23-24-21/h1-2,5-6,11,15,19,22H,3-4,7-10,12-14H2
InChIKeyCQHKGPRRFQDZFZ-UHFFFAOYSA-N
MW334.47 g/mol
LogP2.55
Rot. Bonds4

About N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine

N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 126919393) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID126919393
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC NameN-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCC1CN(c3cc4c(nn3)CCCC4)C1)C2
InChIInChI=1S/C21H26N4/c1-2-6-17-10-19(9-16(17)5-1)22-12-15-13-25(14-15)21-11-18-7-3-4-8-20(18)23-24-21/h1-2,5-6,11,15,19,22H,3-4,7-10,12-14H2
InChIKeyCQHKGPRRFQDZFZ-UHFFFAOYSA-N
XLogP2.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine (CID 126919393) is N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine is c1ccc2c(c1)CC(NCC1CN(c3cc4c(nn3)CCCC4)C1)C2.
What is the InChIKey of N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is CQHKGPRRFQDZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-2-6-17-10-19(9-16(17)5-1)22-12-15-13-25(14-15)21-11-18-7-3-4-8-20(18)23-24-21/h1-2,5-6,11,15,19,22H,3-4,7-10,12-14H2.
What are the key properties of N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 334.47 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 126919393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).