N-(3-methylbutyl)-N-(2-methylpropyl)formamide

C10H21NO — CID 15936100

IUPACN-(3-methylbutyl)-N-(2-methylpropyl)formamide
SMILESCC(C)CCN(C=O)CC(C)C
InChIInChI=1S/C10H21NO/c1-9(2)5-6-11(8-12)7-10(3)4/h8-10H,5-7H2,1-4H3
InChIKeyXBBPRAAIESMRNM-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.15
Rot. Bonds6

About N-(3-methylbutyl)-N-(2-methylpropyl)formamide

N-(3-methylbutyl)-N-(2-methylpropyl)formamide (PubChem CID 15936100) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-(2-methylpropyl)formamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-(2-methylpropyl)formamide
PubChem CID15936100
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(3-methylbutyl)-N-(2-methylpropyl)formamide
SMILESCC(C)CCN(C=O)CC(C)C
InChIInChI=1S/C10H21NO/c1-9(2)5-6-11(8-12)7-10(3)4/h8-10H,5-7H2,1-4H3
InChIKeyXBBPRAAIESMRNM-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-methylbutyl)-N-(2-methylpropyl)formamide?
The IUPAC name of N-(3-methylbutyl)-N-(2-methylpropyl)formamide (CID 15936100) is N-(3-methylbutyl)-N-(2-methylpropyl)formamide.
What is the SMILES notation for N-(3-methylbutyl)-N-(2-methylpropyl)formamide?
The canonical SMILES for N-(3-methylbutyl)-N-(2-methylpropyl)formamide is CC(C)CCN(C=O)CC(C)C.
What is the InChIKey of N-(3-methylbutyl)-N-(2-methylpropyl)formamide?
The InChIKey is XBBPRAAIESMRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)5-6-11(8-12)7-10(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of N-(3-methylbutyl)-N-(2-methylpropyl)formamide?
N-(3-methylbutyl)-N-(2-methylpropyl)formamide has a molecular weight of 171.28 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-(2-methylpropyl)formamide is sourced from PubChem (CID 15936100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).