3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine

C30H51N7 — CID 140833527

IUPAC3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine
SMILESCCCCn1ccnc1CCCN(CCCc1nccn1CCCC)CCCc1nccn1CCCC
InChIInChI=1S/C30H51N7/c1-4-7-22-35-25-16-31-28(35)13-10-19-34(20-11-14-29-32-17-26-36(29)23-8-5-2)21-12-15-30-33-18-27-37(30)24-9-6-3/h16-18,25-27H,4-15,19-24H2,1-3H3
InChIKeyLTLNUIJLHRIMDC-UHFFFAOYSA-N
MW509.79 g/mol
LogP6.18
Rot. Bonds21

About 3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine

3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine (PubChem CID 140833527) has the molecular formula C30H51N7 and a molecular weight of 509.79 g/mol. Its IUPAC name is 3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine
PubChem CID140833527
Molecular FormulaC30H51N7
Molecular Weight509.79 g/mol
Exact Mass509.42
IUPAC Name3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine
SMILESCCCCn1ccnc1CCCN(CCCc1nccn1CCCC)CCCc1nccn1CCCC
InChIInChI=1S/C30H51N7/c1-4-7-22-35-25-16-31-28(35)13-10-19-34(20-11-14-29-32-17-26-36(29)23-8-5-2)21-12-15-30-33-18-27-37(30)24-9-6-3/h16-18,25-27H,4-15,19-24H2,1-3H3
InChIKeyLTLNUIJLHRIMDC-UHFFFAOYSA-N
XLogP6.18
TPSA56.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.79
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine with MolForge

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Related Compounds

1,2-di(pentadecyl)imidazole
CID 69388452
N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine
CID 140833514
1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum
CID 174536207
2-butyl-1-ethylimidazole;hydrochloride
CID 173083631
3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine
CID 140833519
2-butyl-1-(3-propan-2-yloxypropyl)imidazole
CID 57089790
(2-butylimidazol-1-yl)methanol
CID 22012500
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
3-(1-butylimidazol-2-yl)propan-1-amine;methyl hydrogen sulfate
CID 173027773
1-(4-methylpentyl)-2-propylimidazole
CID 83169083
2-(chloromethyl)-1-pentylimidazole;hydrochloride
CID 22938760

Frequently Asked Questions

What is the IUPAC name of 3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine?
The IUPAC name of 3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine (CID 140833527) is 3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine.
What is the SMILES notation for 3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine?
The canonical SMILES for 3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine is CCCCn1ccnc1CCCN(CCCc1nccn1CCCC)CCCc1nccn1CCCC.
What is the InChIKey of 3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine?
The InChIKey is LTLNUIJLHRIMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51N7/c1-4-7-22-35-25-16-31-28(35)13-10-19-34(20-11-14-29-32-17-26-36(29)23-8-5-2)21-12-15-30-33-18-27-37(30)24-9-6-3/h16-18,25-27H,4-15,19-24H2,1-3H3.
What are the key properties of 3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine?
3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine has a molecular weight of 509.79 g/mol, XLogP of 6.18, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine is sourced from PubChem (CID 140833527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).