N-[(1-butyltetrazol-5-yl)-quinolin-2-ylmethyl]-3-imidazol-1-ylpropan-1-amine

C21H26N8 — CID 25063042

IUPACN-[(1-butyltetrazol-5-yl)-quinolin-2-ylmethyl]-3-imidazol-1-ylpropan-1-amine
SMILESCCCCn1nnnc1C(NCCCn1ccnc1)c1ccc2ccccc2n1
InChIInChI=1S/C21H26N8/c1-2-3-14-29-21(25-26-27-29)20(23-11-6-13-28-15-12-22-16-28)19-10-9-17-7-4-5-8-18(17)24-19/h4-5,7-10,12,15-16,20,23H,2-3,6,11,13-14H2,1H3
InChIKeyLUOWPXCFSFCQSF-UHFFFAOYSA-N
MW390.50 g/mol
LogP2.99
Rot. Bonds10

About N-[(1-butyltetrazol-5-yl)-quinolin-2-ylmethyl]-3-imidazol-1-ylpropan-1-amine

N-[(1-butyltetrazol-5-yl)-quinolin-2-ylmethyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 25063042) has the molecular formula C21H26N8 and a molecular weight of 390.50 g/mol. Its IUPAC name is N-[(1-butyltetrazol-5-yl)-quinolin-2-ylmethyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-butyltetrazol-5-yl)-quinolin-2-ylmethyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID25063042
Molecular FormulaC21H26N8
Molecular Weight390.50 g/mol
Exact Mass390.23
IUPAC NameN-[(1-butyltetrazol-5-yl)-quinolin-2-ylmethyl]-3-imidazol-1-ylpropan-1-amine
SMILESCCCCn1nnnc1C(NCCCn1ccnc1)c1ccc2ccccc2n1
InChIInChI=1S/C21H26N8/c1-2-3-14-29-21(25-26-27-29)20(23-11-6-13-28-15-12-22-16-28)19-10-9-17-7-4-5-8-18(17)24-19/h4-5,7-10,12,15-16,20,23H,2-3,6,11,13-14H2,1H3
InChIKeyLUOWPXCFSFCQSF-UHFFFAOYSA-N
XLogP2.99
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 25063043
2-[(3-imidazol-1-ylpropylamino)-(1-methyltetrazol-5-yl)methyl]quinolin-8-ol
CID 25059136
N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43126802
1-propylimidazole;quinoline
CID 174946070
1-butylimidazole;hydron;hexafluorophosphate
CID 174546653
sodium;1-butylimidazole;bromide
CID 175480877
3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 28993976
1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine
CID 65025528
3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43773811
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine
CID 43126715
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
N-(3-imidazol-1-ylpropyl)ethanesulfonamide
CID 19685069

Frequently Asked Questions

What is the IUPAC name of N-[(1-butyltetrazol-5-yl)-quinolin-2-ylmethyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[(1-butyltetrazol-5-yl)-quinolin-2-ylmethyl]-3-imidazol-1-ylpropan-1-amine (CID 25063042) is N-[(1-butyltetrazol-5-yl)-quinolin-2-ylmethyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(1-butyltetrazol-5-yl)-quinolin-2-ylmethyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(1-butyltetrazol-5-yl)-quinolin-2-ylmethyl]-3-imidazol-1-ylpropan-1-amine is CCCCn1nnnc1C(NCCCn1ccnc1)c1ccc2ccccc2n1.
What is the InChIKey of N-[(1-butyltetrazol-5-yl)-quinolin-2-ylmethyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is LUOWPXCFSFCQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8/c1-2-3-14-29-21(25-26-27-29)20(23-11-6-13-28-15-12-22-16-28)19-10-9-17-7-4-5-8-18(17)24-19/h4-5,7-10,12,15-16,20,23H,2-3,6,11,13-14H2,1H3.
What are the key properties of N-[(1-butyltetrazol-5-yl)-quinolin-2-ylmethyl]-3-imidazol-1-ylpropan-1-amine?
N-[(1-butyltetrazol-5-yl)-quinolin-2-ylmethyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 390.50 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyltetrazol-5-yl)-quinolin-2-ylmethyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 25063042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).