N,N-bis(4-methylpentan-2-yl)formamide

C13H27NO — CID 57421709

IUPACN,N-bis(4-methylpentan-2-yl)formamide
SMILESCC(C)CC(C)N(C=O)C(C)CC(C)C
InChIInChI=1S/C13H27NO/c1-10(2)7-12(5)14(9-15)13(6)8-11(3)4/h9-13H,7-8H2,1-6H3
InChIKeyPOEKLXPQBWOKMV-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.31
Rot. Bonds7

About N,N-bis(4-methylpentan-2-yl)formamide

N,N-bis(4-methylpentan-2-yl)formamide (PubChem CID 57421709) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N,N-bis(4-methylpentan-2-yl)formamide.

Molecular Properties

Compound NameN,N-bis(4-methylpentan-2-yl)formamide
PubChem CID57421709
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN,N-bis(4-methylpentan-2-yl)formamide
SMILESCC(C)CC(C)N(C=O)C(C)CC(C)C
InChIInChI=1S/C13H27NO/c1-10(2)7-12(5)14(9-15)13(6)8-11(3)4/h9-13H,7-8H2,1-6H3
InChIKeyPOEKLXPQBWOKMV-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.31
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,N-bis(4-methylpentan-2-yl)formamide?
The IUPAC name of N,N-bis(4-methylpentan-2-yl)formamide (CID 57421709) is N,N-bis(4-methylpentan-2-yl)formamide.
What is the SMILES notation for N,N-bis(4-methylpentan-2-yl)formamide?
The canonical SMILES for N,N-bis(4-methylpentan-2-yl)formamide is CC(C)CC(C)N(C=O)C(C)CC(C)C.
What is the InChIKey of N,N-bis(4-methylpentan-2-yl)formamide?
The InChIKey is POEKLXPQBWOKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)7-12(5)14(9-15)13(6)8-11(3)4/h9-13H,7-8H2,1-6H3.
What are the key properties of N,N-bis(4-methylpentan-2-yl)formamide?
N,N-bis(4-methylpentan-2-yl)formamide has a molecular weight of 213.36 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methylpentan-2-yl)formamide is sourced from PubChem (CID 57421709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).