N-methyl-N-(2-methylbut-1-enyl)formamide

C7H13NO — CID 151285148

IUPACN-methyl-N-(2-methylbut-1-enyl)formamide
SMILESCCC(C)=CN(C)C=O
InChIInChI=1S/C7H13NO/c1-4-7(2)5-8(3)6-9/h5-6H,4H2,1-3H3
InChIKeyNZFMSZXETWFVOW-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.39
Rot. Bonds3

About N-methyl-N-(2-methylbut-1-enyl)formamide

N-methyl-N-(2-methylbut-1-enyl)formamide (PubChem CID 151285148) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-methyl-N-(2-methylbut-1-enyl)formamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylbut-1-enyl)formamide
PubChem CID151285148
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-methyl-N-(2-methylbut-1-enyl)formamide
SMILESCCC(C)=CN(C)C=O
InChIInChI=1S/C7H13NO/c1-4-7(2)5-8(3)6-9/h5-6H,4H2,1-3H3
InChIKeyNZFMSZXETWFVOW-UHFFFAOYSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]-N-methylformamide
CID 166958378
ethyl(2-methylbut-1-enyl)carbamic acid
CID 173431096
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
N,N-dimethylformamide;ethanol;methanol;propan-2-one
CID 172828368
acetic acid;N,N-dimethylformamide;ethanol
CID 88751459
N-(2-methylbut-1-enyl)formamide
CID 54247749
(Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide
CID 142157976
(Z)-2,4-dimethylhex-3-ene
CID 5463169
(Z)-4-methylhex-3-en-2-one
CID 12930146
ethane;(E)-3-methylpent-2-ene
CID 144523626
3-methylpent-2-ene;zirconium
CID 174393280
(E)-1-(dimethylamino)-2-methylpent-1-en-3-one
CID 12867317

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbut-1-enyl)formamide?
The IUPAC name of N-methyl-N-(2-methylbut-1-enyl)formamide (CID 151285148) is N-methyl-N-(2-methylbut-1-enyl)formamide.
What is the SMILES notation for N-methyl-N-(2-methylbut-1-enyl)formamide?
The canonical SMILES for N-methyl-N-(2-methylbut-1-enyl)formamide is CCC(C)=CN(C)C=O.
What is the InChIKey of N-methyl-N-(2-methylbut-1-enyl)formamide?
The InChIKey is NZFMSZXETWFVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-7(2)5-8(3)6-9/h5-6H,4H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylbut-1-enyl)formamide?
N-methyl-N-(2-methylbut-1-enyl)formamide has a molecular weight of 127.19 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbut-1-enyl)formamide is sourced from PubChem (CID 151285148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).