[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanamine;hydrochloride

C10H20ClN — CID 52993159

IUPAC[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanamine;hydrochloride
SMILESCC(C)=C[C@H]1[C@@H](CN)C1(C)C.Cl
InChIInChI=1S/C10H19N.ClH/c1-7(2)5-8-9(6-11)10(8,3)4;/h5,8-9H,6,11H2,1-4H3;1H/t8-,9+;/m0./s1
InChIKeyXJFLBRKBLOXNRE-OULXEKPRSA-N
MW189.73 g/mol
LogP2.61
Rot. Bonds2

About [(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanamine;hydrochloride

[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 52993159) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is [(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanamine;hydrochloride
PubChem CID52993159
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanamine;hydrochloride
SMILESCC(C)=C[C@H]1[C@@H](CN)C1(C)C.Cl
InChIInChI=1S/C10H19N.ClH/c1-7(2)5-8-9(6-11)10(8,3)4;/h5,8-9H,6,11H2,1-4H3;1H/t8-,9+;/m0./s1
InChIKeyXJFLBRKBLOXNRE-OULXEKPRSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanamine;hydrochloride (CID 52993159) is [(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanamine;hydrochloride is CC(C)=C[C@H]1[C@@H](CN)C1(C)C.Cl.
What is the InChIKey of [(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is XJFLBRKBLOXNRE-OULXEKPRSA-N. The full InChI is InChI=1S/C10H19N.ClH/c1-7(2)5-8-9(6-11)10(8,3)4;/h5,8-9H,6,11H2,1-4H3;1H/t8-,9+;/m0./s1.
What are the key properties of [(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanamine;hydrochloride?
[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 189.73 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 52993159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).