3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine

C11H21N3 — CID 115347460

IUPAC3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine
SMILESCCCn1cncc1CC(N)C(C)C
InChIInChI=1S/C11H21N3/c1-4-5-14-8-13-7-10(14)6-11(12)9(2)3/h7-9,11H,4-6,12H2,1-3H3
InChIKeyPZPMJLVEJKBLHS-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.82
Rot. Bonds5

About 3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine

3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine (PubChem CID 115347460) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine
PubChem CID115347460
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine
SMILESCCCn1cncc1CC(N)C(C)C
InChIInChI=1S/C11H21N3/c1-4-5-14-8-13-7-10(14)6-11(12)9(2)3/h7-9,11H,4-6,12H2,1-3H3
InChIKeyPZPMJLVEJKBLHS-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid
CID 54225588
methyl 2-(aminomethyl)-3-(3-propylimidazol-4-yl)propanoate
CID 66130533
methyl (2S)-3-methyl-2-[(3-propylimidazol-4-yl)methylamino]butanoate
CID 66130342
1-(2-methoxyethyl)-5-(2-methylpropyl)imidazole
CID 139364682
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 102696680
4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol
CID 106348786
1-(3-ethylimidazol-4-yl)butan-2-amine
CID 66132539
2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol
CID 104554083
2-amino-1-(3-propylimidazol-4-yl)butan-1-ol
CID 66129932
methyl 2-methyl-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoate
CID 66152824
5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine
CID 66133962
1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130984

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine?
The IUPAC name of 3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine (CID 115347460) is 3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine?
The canonical SMILES for 3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine is CCCn1cncc1CC(N)C(C)C.
What is the InChIKey of 3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine?
The InChIKey is PZPMJLVEJKBLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-5-14-8-13-7-10(14)6-11(12)9(2)3/h7-9,11H,4-6,12H2,1-3H3.
What are the key properties of 3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine?
3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine is sourced from PubChem (CID 115347460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).