1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine

C10H17N3 — CID 107000929

IUPAC1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine
SMILESCC1(C)CC1C(N)Cc1ncc[nH]1
InChIInChI=1S/C10H17N3/c1-10(2)6-7(10)8(11)5-9-12-3-4-13-9/h3-4,7-8H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyXJHKOPLFCVNWDJ-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.33
Rot. Bonds3

About 1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine

1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine (PubChem CID 107000929) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine
PubChem CID107000929
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine
SMILESCC1(C)CC1C(N)Cc1ncc[nH]1
InChIInChI=1S/C10H17N3/c1-10(2)6-7(10)8(11)5-9-12-3-4-13-9/h3-4,7-8H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyXJHKOPLFCVNWDJ-UHFFFAOYSA-N
XLogP1.33
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine (CID 107000929) is 1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine is CC1(C)CC1C(N)Cc1ncc[nH]1.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine?
The InChIKey is XJHKOPLFCVNWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2)6-7(10)8(11)5-9-12-3-4-13-9/h3-4,7-8H,5-6,11H2,1-2H3,(H,12,13).
What are the key properties of 1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine?
1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine is sourced from PubChem (CID 107000929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).