1-N-quinolin-5-ylcyclobutane-1,3-diamine

C13H15N3 — CID 80559006

IUPAC1-N-quinolin-5-ylcyclobutane-1,3-diamine
SMILESNC1CC(Nc2cccc3ncccc23)C1
InChIInChI=1S/C13H15N3/c14-9-7-10(8-9)16-13-5-1-4-12-11(13)3-2-6-15-12/h1-6,9-10,16H,7-8,14H2
InChIKeyUTPWWRKINPBPQL-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.14
Rot. Bonds2

About 1-N-quinolin-5-ylcyclobutane-1,3-diamine

1-N-quinolin-5-ylcyclobutane-1,3-diamine (PubChem CID 80559006) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-N-quinolin-5-ylcyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-quinolin-5-ylcyclobutane-1,3-diamine
PubChem CID80559006
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-N-quinolin-5-ylcyclobutane-1,3-diamine
SMILESNC1CC(Nc2cccc3ncccc23)C1
InChIInChI=1S/C13H15N3/c14-9-7-10(8-9)16-13-5-1-4-12-11(13)3-2-6-15-12/h1-6,9-10,16H,7-8,14H2
InChIKeyUTPWWRKINPBPQL-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-cyclopropylcyclohexyl)quinolin-5-amine
CID 64595220
N-(3-methylcyclopentyl)quinolin-5-amine
CID 64501004
N-(1-methylpyrrolidin-3-yl)quinolin-5-amine
CID 62975948
N-(thian-3-yl)quinolin-5-amine
CID 62873049
N-(3-methoxycyclohexyl)quinolin-5-amine
CID 106871532
N-(3,3-dimethylcyclopentyl)quinolin-5-amine
CID 80693374
N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-5-amine
CID 43759315
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)quinolin-5-amine
CID 115928349
N-(1-methylazepan-4-yl)quinolin-5-amine
CID 65071582
N-(cyclopropylmethyl)quinolin-5-amine
CID 43654866
6-N-(3,5-dimethylcyclohexyl)quinoline-5,6-diamine
CID 64734415
1-N-quinolin-6-ylcyclobutane-1,3-diamine
CID 80562353

Frequently Asked Questions

What is the IUPAC name of 1-N-quinolin-5-ylcyclobutane-1,3-diamine?
The IUPAC name of 1-N-quinolin-5-ylcyclobutane-1,3-diamine (CID 80559006) is 1-N-quinolin-5-ylcyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-quinolin-5-ylcyclobutane-1,3-diamine?
The canonical SMILES for 1-N-quinolin-5-ylcyclobutane-1,3-diamine is NC1CC(Nc2cccc3ncccc23)C1.
What is the InChIKey of 1-N-quinolin-5-ylcyclobutane-1,3-diamine?
The InChIKey is UTPWWRKINPBPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-9-7-10(8-9)16-13-5-1-4-12-11(13)3-2-6-15-12/h1-6,9-10,16H,7-8,14H2.
What are the key properties of 1-N-quinolin-5-ylcyclobutane-1,3-diamine?
1-N-quinolin-5-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-5-ylcyclobutane-1,3-diamine is sourced from PubChem (CID 80559006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).