1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine

C12H23N3 — CID 43749580

IUPAC1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C12H23N3/c1-5-6-14-11(12(2,3)4)9-15-8-7-13-10-15/h7-8,10-11,14H,5-6,9H2,1-4H3
InChIKeyMTTALSOYYHEJLR-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.30
Rot. Bonds5

About 1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine

1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine (PubChem CID 43749580) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine
PubChem CID43749580
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C12H23N3/c1-5-6-14-11(12(2,3)4)9-15-8-7-13-10-15/h7-8,10-11,14H,5-6,9H2,1-4H3
InChIKeyMTTALSOYYHEJLR-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine
CID 107445275
1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine
CID 43749439
tert-butyl N-[3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]propyl]carbamate
CID 103821872
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine
CID 43749450
3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol
CID 65337512
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-5-methylhexan-2-amine
CID 43749519
1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 43749571
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine
CID 104859696
N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 43749470
2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 63001421
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
methyl 2-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]propanoate
CID 66173138

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine?
The IUPAC name of 1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine (CID 43749580) is 1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine is CCCNC(Cn1ccnc1)C(C)(C)C.
What is the InChIKey of 1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine?
The InChIKey is MTTALSOYYHEJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-6-14-11(12(2,3)4)9-15-8-7-13-10-15/h7-8,10-11,14H,5-6,9H2,1-4H3.
What are the key properties of 1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine?
1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine is sourced from PubChem (CID 43749580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).