N-[(3-butylimidazol-4-yl)methyl]ethanamine

C10H19N3 — CID 66146486

IUPACN-[(3-butylimidazol-4-yl)methyl]ethanamine
SMILESCCCCn1cncc1CNCC
InChIInChI=1S/C10H19N3/c1-3-5-6-13-9-12-8-10(13)7-11-4-2/h8-9,11H,3-7H2,1-2H3
InChIKeyKUDPPCUWDUPQSE-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.79
Rot. Bonds6

About N-[(3-butylimidazol-4-yl)methyl]ethanamine

N-[(3-butylimidazol-4-yl)methyl]ethanamine (PubChem CID 66146486) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(3-butylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-butylimidazol-4-yl)methyl]ethanamine
PubChem CID66146486
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-[(3-butylimidazol-4-yl)methyl]ethanamine
SMILESCCCCn1cncc1CNCC
InChIInChI=1S/C10H19N3/c1-3-5-6-13-9-12-8-10(13)7-11-4-2/h8-9,11H,3-7H2,1-2H3
InChIKeyKUDPPCUWDUPQSE-UHFFFAOYSA-N
XLogP1.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine
CID 66149891
N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66146275
3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine
CID 106040180
4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine
CID 66151168
N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
CID 66118440
N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine
CID 103466378
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 66147331
3-[(3-propylimidazol-4-yl)methylamino]propanoic acid
CID 66133554
N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 66152219
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937

Frequently Asked Questions

What is the IUPAC name of N-[(3-butylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-butylimidazol-4-yl)methyl]ethanamine (CID 66146486) is N-[(3-butylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-butylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-butylimidazol-4-yl)methyl]ethanamine is CCCCn1cncc1CNCC.
What is the InChIKey of N-[(3-butylimidazol-4-yl)methyl]ethanamine?
The InChIKey is KUDPPCUWDUPQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-5-6-13-9-12-8-10(13)7-11-4-2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-[(3-butylimidazol-4-yl)methyl]ethanamine?
N-[(3-butylimidazol-4-yl)methyl]ethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 66146486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).