2,2-dimethylpentane;1-methyl-5-methylidenepyrrolidin-2-one;N,2,2-trimethylpropan-1-amine

C19H40N2O — CID 142048030

IUPAC2,2-dimethylpentane;1-methyl-5-methylidenepyrrolidin-2-one;N,2,2-trimethylpropan-1-amine
SMILESC=C1CCC(=O)N1C.CCCC(C)(C)C.CNCC(C)(C)C
InChIInChI=1S/C7H16.C6H9NO.C6H15N/c1-5-6-7(2,3)4;1-5-3-4-6(8)7(5)2;1-6(2,3)5-7-4/h5-6H2,1-4H3;1,3-4H2,2H3;7H,5H2,1-4H3
InChIKeyGPVVHGWKDDNTGC-UHFFFAOYSA-N
MW312.54 g/mol
LogP4.84
Rot. Bonds2

About 2,2-dimethylpentane;1-methyl-5-methylidenepyrrolidin-2-one;N,2,2-trimethylpropan-1-amine

2,2-dimethylpentane;1-methyl-5-methylidenepyrrolidin-2-one;N,2,2-trimethylpropan-1-amine (PubChem CID 142048030) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is 2,2-dimethylpentane;1-methyl-5-methylidenepyrrolidin-2-one;N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethylpentane;1-methyl-5-methylidenepyrrolidin-2-one;N,2,2-trimethylpropan-1-amine
PubChem CID142048030
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC Name2,2-dimethylpentane;1-methyl-5-methylidenepyrrolidin-2-one;N,2,2-trimethylpropan-1-amine
SMILESC=C1CCC(=O)N1C.CCCC(C)(C)C.CNCC(C)(C)C
InChIInChI=1S/C7H16.C6H9NO.C6H15N/c1-5-6-7(2,3)4;1-5-3-4-6(8)7(5)2;1-6(2,3)5-7-4/h5-6H2,1-4H3;1,3-4H2,2H3;7H,5H2,1-4H3
InChIKeyGPVVHGWKDDNTGC-UHFFFAOYSA-N
XLogP4.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentane;1-methyl-5-methylidenepyrrolidin-2-one;N,2,2-trimethylpropan-1-amine?
The IUPAC name of 2,2-dimethylpentane;1-methyl-5-methylidenepyrrolidin-2-one;N,2,2-trimethylpropan-1-amine (CID 142048030) is 2,2-dimethylpentane;1-methyl-5-methylidenepyrrolidin-2-one;N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 2,2-dimethylpentane;1-methyl-5-methylidenepyrrolidin-2-one;N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 2,2-dimethylpentane;1-methyl-5-methylidenepyrrolidin-2-one;N,2,2-trimethylpropan-1-amine is C=C1CCC(=O)N1C.CCCC(C)(C)C.CNCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpentane;1-methyl-5-methylidenepyrrolidin-2-one;N,2,2-trimethylpropan-1-amine?
The InChIKey is GPVVHGWKDDNTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C6H9NO.C6H15N/c1-5-6-7(2,3)4;1-5-3-4-6(8)7(5)2;1-6(2,3)5-7-4/h5-6H2,1-4H3;1,3-4H2,2H3;7H,5H2,1-4H3.
What are the key properties of 2,2-dimethylpentane;1-methyl-5-methylidenepyrrolidin-2-one;N,2,2-trimethylpropan-1-amine?
2,2-dimethylpentane;1-methyl-5-methylidenepyrrolidin-2-one;N,2,2-trimethylpropan-1-amine has a molecular weight of 312.54 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentane;1-methyl-5-methylidenepyrrolidin-2-one;N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 142048030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).