N-methyl-N-[3-(propan-2-ylamino)butyl]formamide

C9H20N2O — CID 166777873

IUPACN-methyl-N-[3-(propan-2-ylamino)butyl]formamide
SMILESCC(C)NC(C)CCN(C)C=O
InChIInChI=1S/C9H20N2O/c1-8(2)10-9(3)5-6-11(4)7-12/h7-10H,5-6H2,1-4H3
InChIKeyYHLUJIHVKZKJIB-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.85
Rot. Bonds6

About N-methyl-N-[3-(propan-2-ylamino)butyl]formamide

N-methyl-N-[3-(propan-2-ylamino)butyl]formamide (PubChem CID 166777873) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-methyl-N-[3-(propan-2-ylamino)butyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[3-(propan-2-ylamino)butyl]formamide
PubChem CID166777873
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-methyl-N-[3-(propan-2-ylamino)butyl]formamide
SMILESCC(C)NC(C)CCN(C)C=O
InChIInChI=1S/C9H20N2O/c1-8(2)10-9(3)5-6-11(4)7-12/h7-10H,5-6H2,1-4H3
InChIKeyYHLUJIHVKZKJIB-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
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-[3-(propan-2-ylamino)butyl]formamide?
The IUPAC name of N-methyl-N-[3-(propan-2-ylamino)butyl]formamide (CID 166777873) is N-methyl-N-[3-(propan-2-ylamino)butyl]formamide.
What is the SMILES notation for N-methyl-N-[3-(propan-2-ylamino)butyl]formamide?
The canonical SMILES for N-methyl-N-[3-(propan-2-ylamino)butyl]formamide is CC(C)NC(C)CCN(C)C=O.
What is the InChIKey of N-methyl-N-[3-(propan-2-ylamino)butyl]formamide?
The InChIKey is YHLUJIHVKZKJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)10-9(3)5-6-11(4)7-12/h7-10H,5-6H2,1-4H3.
What are the key properties of N-methyl-N-[3-(propan-2-ylamino)butyl]formamide?
N-methyl-N-[3-(propan-2-ylamino)butyl]formamide has a molecular weight of 172.27 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(propan-2-ylamino)butyl]formamide is sourced from PubChem (CID 166777873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).