1-imidazol-1-yl-N,N,2-trimethylpropan-2-amine

C9H17N3 — CID 3062753

IUPAC1-imidazol-1-yl-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)Cn1ccnc1
InChIInChI=1S/C9H17N3/c1-9(2,11(3)4)7-12-6-5-10-8-12/h5-6,8H,7H2,1-4H3
InChIKeyAWMFJVYLBLDTMD-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.22
Rot. Bonds3

About 1-imidazol-1-yl-N,N,2-trimethylpropan-2-amine

1-imidazol-1-yl-N,N,2-trimethylpropan-2-amine (PubChem CID 3062753) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-imidazol-1-yl-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N,N,2-trimethylpropan-2-amine
PubChem CID3062753
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-imidazol-1-yl-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)Cn1ccnc1
InChIInChI=1S/C9H17N3/c1-9(2,11(3)4)7-12-6-5-10-8-12/h5-6,8H,7H2,1-4H3
InChIKeyAWMFJVYLBLDTMD-UHFFFAOYSA-N
XLogP1.22
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole;pentahydrate
CID 139144958
1-imidazol-1-yl-2,3-dimethylbutan-2-ol
CID 114447498
3-imidazol-1-yl-2,2-dimethylpropanoic acid
CID 59815669
1-(2,2,2-trifluoroethyl)imidazole
CID 13288518
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
N-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride
CID 55280057
N,N,2-trimethyl-1-(3-methylpyrazol-1-yl)propan-2-amine
CID 58328473
copper;1-ethylimidazole
CID 118057388
1-ethylimidazole;hydroiodide
CID 66751695
N-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine
CID 79620812
ethane;2-imidazol-1-yl-N,N-dimethylacetamide
CID 171641946
tert-butyl 2-amino-3-imidazol-1-yl-2-methylpropanoate
CID 165490503

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N,N,2-trimethylpropan-2-amine (CID 3062753) is 1-imidazol-1-yl-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N,N,2-trimethylpropan-2-amine is CN(C)C(C)(C)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-N,N,2-trimethylpropan-2-amine?
The InChIKey is AWMFJVYLBLDTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-9(2,11(3)4)7-12-6-5-10-8-12/h5-6,8H,7H2,1-4H3.
What are the key properties of 1-imidazol-1-yl-N,N,2-trimethylpropan-2-amine?
1-imidazol-1-yl-N,N,2-trimethylpropan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 3062753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).