4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride

C19H31Cl2N3 — CID 126622258

IUPAC4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride
SMILESCCCCCc1c(N)nc2ccccc2c1CCCCCN.Cl.Cl
InChIInChI=1S/C19H29N3.2ClH/c1-2-3-5-12-17-15(10-6-4-9-14-20)16-11-7-8-13-18(16)22-19(17)21;;/h7-8,11,13H,2-6,9-10,12,14,20H2,1H3,(H2,21,22);2*1H
InChIKeyIYLFRWNOWBBWGT-UHFFFAOYSA-N
MW372.38 g/mol
LogP5.06
Rot. Bonds9

About 4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride

4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride (PubChem CID 126622258) has the molecular formula C19H31Cl2N3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride
PubChem CID126622258
Molecular FormulaC19H31Cl2N3
Molecular Weight372.38 g/mol
Exact Mass371.19
IUPAC Name4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride
SMILESCCCCCc1c(N)nc2ccccc2c1CCCCCN.Cl.Cl
InChIInChI=1S/C19H29N3.2ClH/c1-2-3-5-12-17-15(10-6-4-9-14-20)16-11-7-8-13-18(16)22-19(17)21;;/h7-8,11,13H,2-6,9-10,12,14,20H2,1H3,(H2,21,22);2*1H
InChIKeyIYLFRWNOWBBWGT-UHFFFAOYSA-N
XLogP5.06
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.38
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(aminomethyl)phenyl]methyl]-3-pentylquinolin-2-amine;dihydrochloride
CID 126622257
3-nitro-4-pentylquinolin-2-amine
CID 67636144
9-butylacridine
CID 606127
6-chloro-3-heptyl-4-phenylquinolin-2-amine
CID 174265531
10-octylanthracen-9-amine
CID 87887624
4-chloro-2,3-didecylquinoline
CID 141080010
9-(8-acridin-9-yloctyl)acridine
CID 10504492
isoquinolin-1-amine;pentan-1-amine
CID 68813613
4-hexyl-2-methylquinoline
CID 12861362
5-(2-pentylphenyl)pentan-1-amine
CID 54207535
2-pentylquinolin-4-amine
CID 14082309
3,4-didecyl-2-phenylnaphthalen-1-amine
CID 141323238

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride?
The IUPAC name of 4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride (CID 126622258) is 4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride.
What is the SMILES notation for 4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride?
The canonical SMILES for 4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride is CCCCCc1c(N)nc2ccccc2c1CCCCCN.Cl.Cl.
What is the InChIKey of 4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride?
The InChIKey is IYLFRWNOWBBWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3.2ClH/c1-2-3-5-12-17-15(10-6-4-9-14-20)16-11-7-8-13-18(16)22-19(17)21;;/h7-8,11,13H,2-6,9-10,12,14,20H2,1H3,(H2,21,22);2*1H.
What are the key properties of 4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride?
4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride has a molecular weight of 372.38 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride is sourced from PubChem (CID 126622258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).