N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine

C12H23N3 — CID 66146275

IUPACN-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
SMILESCCCCn1cncc1CNC(C)(C)C
InChIInChI=1S/C12H23N3/c1-5-6-7-15-10-13-8-11(15)9-14-12(2,3)4/h8,10,14H,5-7,9H2,1-4H3
InChIKeyWGONPKZFZFMLGX-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.57
Rot. Bonds5

About N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine

N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine (PubChem CID 66146275) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
PubChem CID66146275
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
SMILESCCCCn1cncc1CNC(C)(C)C
InChIInChI=1S/C12H23N3/c1-5-6-7-15-10-13-8-11(15)9-14-12(2,3)4/h8,10,14H,5-7,9H2,1-4H3
InChIKeyWGONPKZFZFMLGX-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150352
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114541567
4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide
CID 79401031
2-methyl-N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146912
N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66148632
2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147964
N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147953
N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 106261698
5-(chloromethyl)-1-decylimidazole
CID 18670803
4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134569
2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine
CID 66401427

Frequently Asked Questions

What is the IUPAC name of N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine (CID 66146275) is N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine is CCCCn1cncc1CNC(C)(C)C.
What is the InChIKey of N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is WGONPKZFZFMLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-6-7-15-10-13-8-11(15)9-14-12(2,3)4/h8,10,14H,5-7,9H2,1-4H3.
What are the key properties of N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine?
N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.57, 5 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]-2-methylpropan-2-amine is sourced from PubChem (CID 66146275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).