N-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine

C14H27N3 — CID 81018634

IUPACN-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine
SMILESCCCn1ccnc1C(C)CCNCC(C)C
InChIInChI=1S/C14H27N3/c1-5-9-17-10-8-16-14(17)13(4)6-7-15-11-12(2)3/h8,10,12-13,15H,5-7,9,11H2,1-4H3
InChIKeyTWJJXEUPWPLHRG-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.03
Rot. Bonds8

About N-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine

N-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine (PubChem CID 81018634) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine
PubChem CID81018634
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine
SMILESCCCn1ccnc1C(C)CCNCC(C)C
InChIInChI=1S/C14H27N3/c1-5-9-17-10-8-16-14(17)13(4)6-7-15-11-12(2)3/h8,10,12-13,15H,5-7,9,11H2,1-4H3
InChIKeyTWJJXEUPWPLHRG-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-propylimidazol-2-yl)butyl]cyclopropanamine
CID 81019314
N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63967916
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 64534593
N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine
CID 65135355
5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine
CID 115325223
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
N-(4-methylpentyl)-1-propylimidazol-2-amine
CID 106572167
2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81022292
1-butyl-2-propan-2-ylimidazole
CID 11506521
3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 81019534
[4-chloro-1-(1-propylimidazol-2-yl)butyl]hydrazine
CID 105235627

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine?
The IUPAC name of N-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine (CID 81018634) is N-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine is CCCn1ccnc1C(C)CCNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine?
The InChIKey is TWJJXEUPWPLHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-9-17-10-8-16-14(17)13(4)6-7-15-11-12(2)3/h8,10,12-13,15H,5-7,9,11H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine?
N-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 81018634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).