6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine

C16H23N3 — CID 63928132

IUPAC6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine
SMILESCC(C)CCC(C)Nc1ccc2ncccc2c1N
InChIInChI=1S/C16H23N3/c1-11(2)6-7-12(3)19-15-9-8-14-13(16(15)17)5-4-10-18-14/h4-5,8-12,19H,6-7,17H2,1-3H3
InChIKeyGMPDHDXZGQIJCK-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.05
Rot. Bonds5

About 6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine

6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine (PubChem CID 63928132) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine
PubChem CID63928132
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine
SMILESCC(C)CCC(C)Nc1ccc2ncccc2c1N
InChIInChI=1S/C16H23N3/c1-11(2)6-7-12(3)19-15-9-8-14-13(16(15)17)5-4-10-18-14/h4-5,8-12,19H,6-7,17H2,1-3H3
InChIKeyGMPDHDXZGQIJCK-UHFFFAOYSA-N
XLogP4.05
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-N-heptan-2-ylquinoline-5,6-diamine
CID 61464313
6-(2-methylpropylsulfanyl)quinolin-5-amine
CID 43809927
6-N-ethylquinoline-5,6-diamine
CID 43809532
6-N-(1-phenylpropyl)quinoline-5,6-diamine
CID 62305552
3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol
CID 65034635
6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-5,6-diamine
CID 62118261
6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine
CID 89050951
6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-5,6-diamine
CID 62990608
2-methoxy-N-(5-methylhexan-2-yl)pyridin-3-amine
CID 43721830
6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 63305883
8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
CID 43382933
5-N-[1-(dimethylamino)propan-2-yl]quinoline-5,8-diamine
CID 82945198

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine?
The IUPAC name of 6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine (CID 63928132) is 6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine.
What is the SMILES notation for 6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine?
The canonical SMILES for 6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine is CC(C)CCC(C)Nc1ccc2ncccc2c1N.
What is the InChIKey of 6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine?
The InChIKey is GMPDHDXZGQIJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)6-7-12(3)19-15-9-8-14-13(16(15)17)5-4-10-18-14/h4-5,8-12,19H,6-7,17H2,1-3H3.
What are the key properties of 6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine?
6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine has a molecular weight of 257.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine is sourced from PubChem (CID 63928132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).