[(1S,3S)-2,2-dimethyl-3-(1-methylimidazol-4-yl)cyclopropyl]methanamine

C10H17N3 — CID 178195147

IUPAC[(1S,3S)-2,2-dimethyl-3-(1-methylimidazol-4-yl)cyclopropyl]methanamine
SMILESCn1cnc([C@H]2[C@H](CN)C2(C)C)c1
InChIInChI=1S/C10H17N3/c1-10(2)7(4-11)9(10)8-5-13(3)6-12-8/h5-7,9H,4,11H2,1-3H3/t7-,9+/m0/s1
InChIKeyOCUWURVXESADRL-IONNQARKSA-N
MW179.27 g/mol
LogP1.12
Rot. Bonds2

About [(1S,3S)-2,2-dimethyl-3-(1-methylimidazol-4-yl)cyclopropyl]methanamine

[(1S,3S)-2,2-dimethyl-3-(1-methylimidazol-4-yl)cyclopropyl]methanamine (PubChem CID 178195147) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is [(1S,3S)-2,2-dimethyl-3-(1-methylimidazol-4-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,3S)-2,2-dimethyl-3-(1-methylimidazol-4-yl)cyclopropyl]methanamine
PubChem CID178195147
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name[(1S,3S)-2,2-dimethyl-3-(1-methylimidazol-4-yl)cyclopropyl]methanamine
SMILESCn1cnc([C@H]2[C@H](CN)C2(C)C)c1
InChIInChI=1S/C10H17N3/c1-10(2)7(4-11)9(10)8-5-13(3)6-12-8/h5-7,9H,4,11H2,1-3H3/t7-,9+/m0/s1
InChIKeyOCUWURVXESADRL-IONNQARKSA-N
XLogP1.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-2,2-dimethyl-3-(1-methylimidazol-4-yl)cyclopropyl]methanamine?
The IUPAC name of [(1S,3S)-2,2-dimethyl-3-(1-methylimidazol-4-yl)cyclopropyl]methanamine (CID 178195147) is [(1S,3S)-2,2-dimethyl-3-(1-methylimidazol-4-yl)cyclopropyl]methanamine.
What is the SMILES notation for [(1S,3S)-2,2-dimethyl-3-(1-methylimidazol-4-yl)cyclopropyl]methanamine?
The canonical SMILES for [(1S,3S)-2,2-dimethyl-3-(1-methylimidazol-4-yl)cyclopropyl]methanamine is Cn1cnc([C@H]2[C@H](CN)C2(C)C)c1.
What is the InChIKey of [(1S,3S)-2,2-dimethyl-3-(1-methylimidazol-4-yl)cyclopropyl]methanamine?
The InChIKey is OCUWURVXESADRL-IONNQARKSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2)7(4-11)9(10)8-5-13(3)6-12-8/h5-7,9H,4,11H2,1-3H3/t7-,9+/m0/s1.
What are the key properties of [(1S,3S)-2,2-dimethyl-3-(1-methylimidazol-4-yl)cyclopropyl]methanamine?
[(1S,3S)-2,2-dimethyl-3-(1-methylimidazol-4-yl)cyclopropyl]methanamine has a molecular weight of 179.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-2,2-dimethyl-3-(1-methylimidazol-4-yl)cyclopropyl]methanamine is sourced from PubChem (CID 178195147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).