N,N-dimethyl-1-(2-methylcyclopropen-1-yl)propan-2-amine

C9H17N — CID 123327022

IUPACN,N-dimethyl-1-(2-methylcyclopropen-1-yl)propan-2-amine
SMILESCC1=C(CC(C)N(C)C)C1
InChIInChI=1S/C9H17N/c1-7-5-9(7)6-8(2)10(3)4/h8H,5-6H2,1-4H3
InChIKeyCKRIUEKLVCTVIN-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds3

About N,N-dimethyl-1-(2-methylcyclopropen-1-yl)propan-2-amine

N,N-dimethyl-1-(2-methylcyclopropen-1-yl)propan-2-amine (PubChem CID 123327022) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methylcyclopropen-1-yl)propan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methylcyclopropen-1-yl)propan-2-amine
PubChem CID123327022
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,N-dimethyl-1-(2-methylcyclopropen-1-yl)propan-2-amine
SMILESCC1=C(CC(C)N(C)C)C1
InChIInChI=1S/C9H17N/c1-7-5-9(7)6-8(2)10(3)4/h8H,5-6H2,1-4H3
InChIKeyCKRIUEKLVCTVIN-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
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 N,N-dimethyl-1-(2-methylcyclopropen-1-yl)propan-2-amine?
The IUPAC name of N,N-dimethyl-1-(2-methylcyclopropen-1-yl)propan-2-amine (CID 123327022) is N,N-dimethyl-1-(2-methylcyclopropen-1-yl)propan-2-amine.
What is the SMILES notation for N,N-dimethyl-1-(2-methylcyclopropen-1-yl)propan-2-amine?
The canonical SMILES for N,N-dimethyl-1-(2-methylcyclopropen-1-yl)propan-2-amine is CC1=C(CC(C)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-(2-methylcyclopropen-1-yl)propan-2-amine?
The InChIKey is CKRIUEKLVCTVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-5-9(7)6-8(2)10(3)4/h8H,5-6H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(2-methylcyclopropen-1-yl)propan-2-amine?
N,N-dimethyl-1-(2-methylcyclopropen-1-yl)propan-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methylcyclopropen-1-yl)propan-2-amine is sourced from PubChem (CID 123327022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).