2-methyl-N-[C-(2-methylpentan-2-yl)-N-propan-2-ylcarbonimidoyl]butanamide

C15H30N2O — CID 134389667

IUPAC2-methyl-N-[C-(2-methylpentan-2-yl)-N-propan-2-ylcarbonimidoyl]butanamide
SMILESCCCC(C)(C)/C(=N\C(C)C)NC(=O)C(C)CC
InChIInChI=1S/C15H30N2O/c1-8-10-15(6,7)14(16-11(3)4)17-13(18)12(5)9-2/h11-12H,8-10H2,1-7H3,(H,16,17,18)
InChIKeyPCURTMIDBNMKPF-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.78
Rot. Bonds6

About 2-methyl-N-[C-(2-methylpentan-2-yl)-N-propan-2-ylcarbonimidoyl]butanamide

2-methyl-N-[C-(2-methylpentan-2-yl)-N-propan-2-ylcarbonimidoyl]butanamide (PubChem CID 134389667) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-methyl-N-[C-(2-methylpentan-2-yl)-N-propan-2-ylcarbonimidoyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[C-(2-methylpentan-2-yl)-N-propan-2-ylcarbonimidoyl]butanamide
PubChem CID134389667
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-methyl-N-[C-(2-methylpentan-2-yl)-N-propan-2-ylcarbonimidoyl]butanamide
SMILESCCCC(C)(C)/C(=N\C(C)C)NC(=O)C(C)CC
InChIInChI=1S/C15H30N2O/c1-8-10-15(6,7)14(16-11(3)4)17-13(18)12(5)9-2/h11-12H,8-10H2,1-7H3,(H,16,17,18)
InChIKeyPCURTMIDBNMKPF-UHFFFAOYSA-N
XLogP3.78
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[C-(2-methylpentan-2-yl)-N-propan-2-ylcarbonimidoyl]butanamide?
The IUPAC name of 2-methyl-N-[C-(2-methylpentan-2-yl)-N-propan-2-ylcarbonimidoyl]butanamide (CID 134389667) is 2-methyl-N-[C-(2-methylpentan-2-yl)-N-propan-2-ylcarbonimidoyl]butanamide.
What is the SMILES notation for 2-methyl-N-[C-(2-methylpentan-2-yl)-N-propan-2-ylcarbonimidoyl]butanamide?
The canonical SMILES for 2-methyl-N-[C-(2-methylpentan-2-yl)-N-propan-2-ylcarbonimidoyl]butanamide is CCCC(C)(C)/C(=N\C(C)C)NC(=O)C(C)CC.
What is the InChIKey of 2-methyl-N-[C-(2-methylpentan-2-yl)-N-propan-2-ylcarbonimidoyl]butanamide?
The InChIKey is PCURTMIDBNMKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-8-10-15(6,7)14(16-11(3)4)17-13(18)12(5)9-2/h11-12H,8-10H2,1-7H3,(H,16,17,18).
What are the key properties of 2-methyl-N-[C-(2-methylpentan-2-yl)-N-propan-2-ylcarbonimidoyl]butanamide?
2-methyl-N-[C-(2-methylpentan-2-yl)-N-propan-2-ylcarbonimidoyl]butanamide has a molecular weight of 254.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[C-(2-methylpentan-2-yl)-N-propan-2-ylcarbonimidoyl]butanamide is sourced from PubChem (CID 134389667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).