1-N-quinolin-6-ylcyclobutane-1,3-diamine

C13H15N3 — CID 80562353

IUPAC1-N-quinolin-6-ylcyclobutane-1,3-diamine
SMILESNC1CC(Nc2ccc3ncccc3c2)C1
InChIInChI=1S/C13H15N3/c14-10-7-12(8-10)16-11-3-4-13-9(6-11)2-1-5-15-13/h1-6,10,12,16H,7-8,14H2
InChIKeyMXIWYGGYICPTEB-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.14
Rot. Bonds2

About 1-N-quinolin-6-ylcyclobutane-1,3-diamine

1-N-quinolin-6-ylcyclobutane-1,3-diamine (PubChem CID 80562353) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-N-quinolin-6-ylcyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-quinolin-6-ylcyclobutane-1,3-diamine
PubChem CID80562353
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-N-quinolin-6-ylcyclobutane-1,3-diamine
SMILESNC1CC(Nc2ccc3ncccc3c2)C1
InChIInChI=1S/C13H15N3/c14-10-7-12(8-10)16-11-3-4-13-9(6-11)2-1-5-15-13/h1-6,10,12,16H,7-8,14H2
InChIKeyMXIWYGGYICPTEB-UHFFFAOYSA-N
XLogP2.14
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxycyclobutyl)quinolin-6-amine
CID 112573906
N-(thian-4-yl)quinolin-6-amine
CID 62635274
N-(2,6-dimethylcyclohexyl)quinolin-6-amine
CID 63476642
3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride
CID 119842997
1-N-quinolin-5-ylcyclobutane-1,3-diamine
CID 80559006
4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide
CID 79207327
1-amino-3-quinolin-6-ylthiourea
CID 62635286
4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine
CID 117083767
N-(5-methyl-2-propan-2-ylcyclohexyl)quinolin-6-amine
CID 63476993
N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide
CID 66004939
3-(cyclobutylamino)-4-(quinolin-6-ylamino)cyclobut-3-ene-1,2-dione
CID 175497517
quinolin-6-ylthiourea
CID 1480925

Frequently Asked Questions

What is the IUPAC name of 1-N-quinolin-6-ylcyclobutane-1,3-diamine?
The IUPAC name of 1-N-quinolin-6-ylcyclobutane-1,3-diamine (CID 80562353) is 1-N-quinolin-6-ylcyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-quinolin-6-ylcyclobutane-1,3-diamine?
The canonical SMILES for 1-N-quinolin-6-ylcyclobutane-1,3-diamine is NC1CC(Nc2ccc3ncccc3c2)C1.
What is the InChIKey of 1-N-quinolin-6-ylcyclobutane-1,3-diamine?
The InChIKey is MXIWYGGYICPTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-10-7-12(8-10)16-11-3-4-13-9(6-11)2-1-5-15-13/h1-6,10,12,16H,7-8,14H2.
What are the key properties of 1-N-quinolin-6-ylcyclobutane-1,3-diamine?
1-N-quinolin-6-ylcyclobutane-1,3-diamine has a molecular weight of 213.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-quinolin-6-ylcyclobutane-1,3-diamine is sourced from PubChem (CID 80562353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).