N-methyl-N-[1-[methyl(propan-2-yl)amino]propan-2-yl]formamide

C9H20N2O — CID 19840883

IUPACN-methyl-N-[1-[methyl(propan-2-yl)amino]propan-2-yl]formamide
SMILESCC(CN(C)C(C)C)N(C)C=O
InChIInChI=1S/C9H20N2O/c1-8(2)10(4)6-9(3)11(5)7-12/h7-9H,6H2,1-5H3
InChIKeyYKWBQMRKDHCXIP-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.80
Rot. Bonds5

About N-methyl-N-[1-[methyl(propan-2-yl)amino]propan-2-yl]formamide

N-methyl-N-[1-[methyl(propan-2-yl)amino]propan-2-yl]formamide (PubChem CID 19840883) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-methyl-N-[1-[methyl(propan-2-yl)amino]propan-2-yl]formamide.

Molecular Properties

Compound NameN-methyl-N-[1-[methyl(propan-2-yl)amino]propan-2-yl]formamide
PubChem CID19840883
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-methyl-N-[1-[methyl(propan-2-yl)amino]propan-2-yl]formamide
SMILESCC(CN(C)C(C)C)N(C)C=O
InChIInChI=1S/C9H20N2O/c1-8(2)10(4)6-9(3)11(5)7-12/h7-9H,6H2,1-5H3
InChIKeyYKWBQMRKDHCXIP-UHFFFAOYSA-N
XLogP0.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[methyl(propan-2-yl)amino]propan-2-yl]formamide?
The IUPAC name of N-methyl-N-[1-[methyl(propan-2-yl)amino]propan-2-yl]formamide (CID 19840883) is N-methyl-N-[1-[methyl(propan-2-yl)amino]propan-2-yl]formamide.
What is the SMILES notation for N-methyl-N-[1-[methyl(propan-2-yl)amino]propan-2-yl]formamide?
The canonical SMILES for N-methyl-N-[1-[methyl(propan-2-yl)amino]propan-2-yl]formamide is CC(CN(C)C(C)C)N(C)C=O.
What is the InChIKey of N-methyl-N-[1-[methyl(propan-2-yl)amino]propan-2-yl]formamide?
The InChIKey is YKWBQMRKDHCXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)10(4)6-9(3)11(5)7-12/h7-9H,6H2,1-5H3.
What are the key properties of N-methyl-N-[1-[methyl(propan-2-yl)amino]propan-2-yl]formamide?
N-methyl-N-[1-[methyl(propan-2-yl)amino]propan-2-yl]formamide has a molecular weight of 172.27 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[methyl(propan-2-yl)amino]propan-2-yl]formamide is sourced from PubChem (CID 19840883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).