4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine

C18H28N4 — CID 129362155

IUPAC4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine
SMILESCCN(CC)CCC[C@H](C)Nc1ccnc2ccc(N)cc12
InChIInChI=1S/C18H28N4/c1-4-22(5-2)12-6-7-14(3)21-18-10-11-20-17-9-8-15(19)13-16(17)18/h8-11,13-14H,4-7,12,19H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyVDWMFSBLEFTMJG-AWEZNQCLSA-N
MW300.45 g/mol
LogP3.74
Rot. Bonds8

About 4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine

4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine (PubChem CID 129362155) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine
PubChem CID129362155
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine
SMILESCCN(CC)CCC[C@H](C)Nc1ccnc2ccc(N)cc12
InChIInChI=1S/C18H28N4/c1-4-22(5-2)12-6-7-14(3)21-18-10-11-20-17-9-8-15(19)13-16(17)18/h8-11,13-14H,4-7,12,19H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyVDWMFSBLEFTMJG-AWEZNQCLSA-N
XLogP3.74
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine?
The IUPAC name of 4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine (CID 129362155) is 4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine.
What is the SMILES notation for 4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine?
The canonical SMILES for 4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine is CCN(CC)CCC[C@H](C)Nc1ccnc2ccc(N)cc12.
What is the InChIKey of 4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine?
The InChIKey is VDWMFSBLEFTMJG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N4/c1-4-22(5-2)12-6-7-14(3)21-18-10-11-20-17-9-8-15(19)13-16(17)18/h8-11,13-14H,4-7,12,19H2,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine?
4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine has a molecular weight of 300.45 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine is sourced from PubChem (CID 129362155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).