2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene

C14H27N3O2S — CID 156791394

IUPAC2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene
SMILESC=NC(=O)C(N)CC(C)C.C=O.CN.Cc1cccs1
InChIInChI=1S/C7H14N2O.C5H6S.CH5N.CH2O/c1-5(2)4-6(8)7(10)9-3;1-5-3-2-4-6-5;2*1-2/h5-6H,3-4,8H2,1-2H3;2-4H,1H3;2H2,1H3;1H2
InChIKeyPRTBPMAQMZXNQK-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.03
Rot. Bonds3

About 2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene

2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene (PubChem CID 156791394) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene.

Molecular Properties

Compound Name2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene
PubChem CID156791394
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene
SMILESC=NC(=O)C(N)CC(C)C.C=O.CN.Cc1cccs1
InChIInChI=1S/C7H14N2O.C5H6S.CH5N.CH2O/c1-5(2)4-6(8)7(10)9-3;1-5-3-2-4-6-5;2*1-2/h5-6H,3-4,8H2,1-2H3;2-4H,1H3;2H2,1H3;1H2
InChIKeyPRTBPMAQMZXNQK-UHFFFAOYSA-N
XLogP2.03
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methylthiophene;urea
CID 162125784
(2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide
CID 104903015
2-methylthiophene
CID 143626612
ethane;2-methylthiophene
CID 90990568
2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide
CID 156791369
sodium;hydride;2-methylthiophene
CID 173118231
N-methylpropan-2-amine;2-methylthiophene
CID 142896326
(2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide
CID 156530582
2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one
CID 116553665
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
2-amino-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 54869709
potassium;hydride;2-methylthiophene;tritetrafluoroborate
CID 175180205

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene?
The IUPAC name of 2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene (CID 156791394) is 2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene.
What is the SMILES notation for 2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene?
The canonical SMILES for 2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene is C=NC(=O)C(N)CC(C)C.C=O.CN.Cc1cccs1.
What is the InChIKey of 2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene?
The InChIKey is PRTBPMAQMZXNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C5H6S.CH5N.CH2O/c1-5(2)4-6(8)7(10)9-3;1-5-3-2-4-6-5;2*1-2/h5-6H,3-4,8H2,1-2H3;2-4H,1H3;2H2,1H3;1H2.
What are the key properties of 2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene?
2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene has a molecular weight of 301.46 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene is sourced from PubChem (CID 156791394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).