4-(3,4-dihydro-1H-quinolin-2-ylideneamino)butan-1-amine

C13H19N3 — CID 135400815

IUPAC4-(3,4-dihydro-1H-quinolin-2-ylideneamino)butan-1-amine
SMILESNCCCC/N=C1\CCc2ccccc2N1
InChIInChI=1S/C13H19N3/c14-9-3-4-10-15-13-8-7-11-5-1-2-6-12(11)16-13/h1-2,5-6H,3-4,7-10,14H2,(H,15,16)
InChIKeyWQLBUPYVQHVFMR-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.18
Rot. Bonds4

About 4-(3,4-dihydro-1H-quinolin-2-ylideneamino)butan-1-amine

4-(3,4-dihydro-1H-quinolin-2-ylideneamino)butan-1-amine (PubChem CID 135400815) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-quinolin-2-ylideneamino)butan-1-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-quinolin-2-ylideneamino)butan-1-amine
PubChem CID135400815
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-(3,4-dihydro-1H-quinolin-2-ylideneamino)butan-1-amine
SMILESNCCCC/N=C1\CCc2ccccc2N1
InChIInChI=1S/C13H19N3/c14-9-3-4-10-15-13-8-7-11-5-1-2-6-12(11)16-13/h1-2,5-6H,3-4,7-10,14H2,(H,15,16)
InChIKeyWQLBUPYVQHVFMR-UHFFFAOYSA-N
XLogP2.18
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-quinolin-2-ylideneamino)butan-1-amine?
The IUPAC name of 4-(3,4-dihydro-1H-quinolin-2-ylideneamino)butan-1-amine (CID 135400815) is 4-(3,4-dihydro-1H-quinolin-2-ylideneamino)butan-1-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-quinolin-2-ylideneamino)butan-1-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-quinolin-2-ylideneamino)butan-1-amine is NCCCC/N=C1\CCc2ccccc2N1.
What is the InChIKey of 4-(3,4-dihydro-1H-quinolin-2-ylideneamino)butan-1-amine?
The InChIKey is WQLBUPYVQHVFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c14-9-3-4-10-15-13-8-7-11-5-1-2-6-12(11)16-13/h1-2,5-6H,3-4,7-10,14H2,(H,15,16).
What are the key properties of 4-(3,4-dihydro-1H-quinolin-2-ylideneamino)butan-1-amine?
4-(3,4-dihydro-1H-quinolin-2-ylideneamino)butan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-quinolin-2-ylideneamino)butan-1-amine is sourced from PubChem (CID 135400815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).