N,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine

C10H19N3 — CID 79409202

IUPACN,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine
SMILESCNCC(C)C(C)n1ccnc1C
InChIInChI=1S/C10H19N3/c1-8(7-11-4)9(2)13-6-5-12-10(13)3/h5-6,8-9,11H,7H2,1-4H3
InChIKeyLOHCRGVSTTULBP-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.61
Rot. Bonds4

About N,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine

N,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine (PubChem CID 79409202) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine
PubChem CID79409202
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine
SMILESCNCC(C)C(C)n1ccnc1C
InChIInChI=1S/C10H19N3/c1-8(7-11-4)9(2)13-6-5-12-10(13)3/h5-6,8-9,11H,7H2,1-4H3
InChIKeyLOHCRGVSTTULBP-UHFFFAOYSA-N
XLogP1.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2734241
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CID 4379480
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CID 6484685
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CID 3152105
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CID 4310329
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CID 50986280
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CID 2846342
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CID 44345907
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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine?
The IUPAC name of N,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine (CID 79409202) is N,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine is CNCC(C)C(C)n1ccnc1C.
What is the InChIKey of N,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine?
The InChIKey is LOHCRGVSTTULBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(7-11-4)9(2)13-6-5-12-10(13)3/h5-6,8-9,11H,7H2,1-4H3.
What are the key properties of N,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine?
N,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine is sourced from PubChem (CID 79409202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).