6-N-heptan-2-ylquinoline-5,6-diamine

C16H23N3 — CID 61464313

IUPAC6-N-heptan-2-ylquinoline-5,6-diamine
SMILESCCCCCC(C)Nc1ccc2ncccc2c1N
InChIInChI=1S/C16H23N3/c1-3-4-5-7-12(2)19-15-10-9-14-13(16(15)17)8-6-11-18-14/h6,8-12,19H,3-5,7,17H2,1-2H3
InChIKeyDHZKPCJFYFVIAI-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.20
Rot. Bonds6

About 6-N-heptan-2-ylquinoline-5,6-diamine

6-N-heptan-2-ylquinoline-5,6-diamine (PubChem CID 61464313) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 6-N-heptan-2-ylquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-heptan-2-ylquinoline-5,6-diamine
PubChem CID61464313
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name6-N-heptan-2-ylquinoline-5,6-diamine
SMILESCCCCCC(C)Nc1ccc2ncccc2c1N
InChIInChI=1S/C16H23N3/c1-3-4-5-7-12(2)19-15-10-9-14-13(16(15)17)8-6-11-18-14/h6,8-12,19H,3-5,7,17H2,1-2H3
InChIKeyDHZKPCJFYFVIAI-UHFFFAOYSA-N
XLogP4.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine
CID 63928132
4-N-heptan-2-ylquinoline-4,8-diamine
CID 83060293
2-N-octan-2-ylpyridine-2,3-diamine
CID 61476406
6-N-ethylquinoline-5,6-diamine
CID 43809532
6-N-(1-phenylpropyl)quinoline-5,6-diamine
CID 62305552
3-N-heptan-2-yl-2-methylbenzene-1,3-diamine
CID 63076426
7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine
CID 83165831
3-fluoro-1-N-heptan-2-ylbenzene-1,2-diamine
CID 61464315
2-[(heptan-2-ylamino)methyl]pyridin-3-amine
CID 104739927
3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol
CID 65034635
6-(2-methylpropylsulfanyl)quinolin-5-amine
CID 43809927
N-heptan-2-ylquinazolin-4-amine
CID 54950682

Frequently Asked Questions

What is the IUPAC name of 6-N-heptan-2-ylquinoline-5,6-diamine?
The IUPAC name of 6-N-heptan-2-ylquinoline-5,6-diamine (CID 61464313) is 6-N-heptan-2-ylquinoline-5,6-diamine.
What is the SMILES notation for 6-N-heptan-2-ylquinoline-5,6-diamine?
The canonical SMILES for 6-N-heptan-2-ylquinoline-5,6-diamine is CCCCCC(C)Nc1ccc2ncccc2c1N.
What is the InChIKey of 6-N-heptan-2-ylquinoline-5,6-diamine?
The InChIKey is DHZKPCJFYFVIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-4-5-7-12(2)19-15-10-9-14-13(16(15)17)8-6-11-18-14/h6,8-12,19H,3-5,7,17H2,1-2H3.
What are the key properties of 6-N-heptan-2-ylquinoline-5,6-diamine?
6-N-heptan-2-ylquinoline-5,6-diamine has a molecular weight of 257.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-heptan-2-ylquinoline-5,6-diamine is sourced from PubChem (CID 61464313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).