N-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine

C11H19N3 — CID 79620812

IUPACN-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine
SMILESCC(C)(CNC1CC1)Cn1ccnc1
InChIInChI=1S/C11H19N3/c1-11(2,7-13-10-3-4-10)8-14-6-5-12-9-14/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeyKZTPMGRGEZTRRW-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.66
Rot. Bonds5

About N-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine

N-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine (PubChem CID 79620812) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine
PubChem CID79620812
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine
SMILESCC(C)(CNC1CC1)Cn1ccnc1
InChIInChI=1S/C11H19N3/c1-11(2,7-13-10-3-4-10)8-14-6-5-12-9-14/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeyKZTPMGRGEZTRRW-UHFFFAOYSA-N
XLogP1.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine
CID 165466349
4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine
CID 65089447
N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine
CID 62262081
1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole;pentahydrate
CID 139144958
1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine
CID 60664484
1-imidazol-1-yl-2,3-dimethylbutan-2-ol
CID 114447498
3-imidazol-1-yl-2,2-dimethylpropanoic acid
CID 59815669
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine
CID 43749450
2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 60846927
N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride
CID 91663022
2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid
CID 63919889
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 90493183

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine?
The IUPAC name of N-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine (CID 79620812) is N-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine.
What is the SMILES notation for N-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine?
The canonical SMILES for N-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine is CC(C)(CNC1CC1)Cn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine?
The InChIKey is KZTPMGRGEZTRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,7-13-10-3-4-10)8-14-6-5-12-9-14/h5-6,9-10,13H,3-4,7-8H2,1-2H3.
What are the key properties of N-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine?
N-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine has a molecular weight of 193.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine is sourced from PubChem (CID 79620812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).