N,N-dimethylpyrrolidin-3-amine;ethane;2-methylprop-1-ene

C12H28N2 — CID 144503585

IUPACN,N-dimethylpyrrolidin-3-amine;ethane;2-methylprop-1-ene
SMILESC=C(C)C.CC.CN(C)C1CCNC1
InChIInChI=1S/C6H14N2.C4H8.C2H6/c1-8(2)6-3-4-7-5-6;1-4(2)3;1-2/h6-7H,3-5H2,1-2H3;1H2,2-3H3;1-2H3
InChIKeyCZUNCQSFKKJTGQ-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.52
Rot. Bonds1

About N,N-dimethylpyrrolidin-3-amine;ethane;2-methylprop-1-ene

N,N-dimethylpyrrolidin-3-amine;ethane;2-methylprop-1-ene (PubChem CID 144503585) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N,N-dimethylpyrrolidin-3-amine;ethane;2-methylprop-1-ene.

Molecular Properties

Compound NameN,N-dimethylpyrrolidin-3-amine;ethane;2-methylprop-1-ene
PubChem CID144503585
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN,N-dimethylpyrrolidin-3-amine;ethane;2-methylprop-1-ene
SMILESC=C(C)C.CC.CN(C)C1CCNC1
InChIInChI=1S/C6H14N2.C4H8.C2H6/c1-8(2)6-3-4-7-5-6;1-4(2)3;1-2/h6-7H,3-5H2,1-2H3;1H2,2-3H3;1-2H3
InChIKeyCZUNCQSFKKJTGQ-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-dimethylpyrrolidin-3-amine;ethane;2-methylprop-1-ene?
The IUPAC name of N,N-dimethylpyrrolidin-3-amine;ethane;2-methylprop-1-ene (CID 144503585) is N,N-dimethylpyrrolidin-3-amine;ethane;2-methylprop-1-ene.
What is the SMILES notation for N,N-dimethylpyrrolidin-3-amine;ethane;2-methylprop-1-ene?
The canonical SMILES for N,N-dimethylpyrrolidin-3-amine;ethane;2-methylprop-1-ene is C=C(C)C.CC.CN(C)C1CCNC1.
What is the InChIKey of N,N-dimethylpyrrolidin-3-amine;ethane;2-methylprop-1-ene?
The InChIKey is CZUNCQSFKKJTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C4H8.C2H6/c1-8(2)6-3-4-7-5-6;1-4(2)3;1-2/h6-7H,3-5H2,1-2H3;1H2,2-3H3;1-2H3.
What are the key properties of N,N-dimethylpyrrolidin-3-amine;ethane;2-methylprop-1-ene?
N,N-dimethylpyrrolidin-3-amine;ethane;2-methylprop-1-ene has a molecular weight of 200.37 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpyrrolidin-3-amine;ethane;2-methylprop-1-ene is sourced from PubChem (CID 144503585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).