N-[(E)-1-pentan-2-yliminobut-2-en-2-yl]formamide

C10H18N2O — CID 156711922

IUPACN-[(E)-1-pentan-2-yliminobut-2-en-2-yl]formamide
SMILESC/C=C(\C=N\C(C)CCC)NC=O
InChIInChI=1S/C10H18N2O/c1-4-6-9(3)11-7-10(5-2)12-8-13/h5,7-9H,4,6H2,1-3H3,(H,12,13)/b10-5+,11-7+
InChIKeyNFYUZBOUZIUKFG-JRNXONEVSA-N
MW182.27 g/mol
LogP1.90
Rot. Bonds6

About N-[(E)-1-pentan-2-yliminobut-2-en-2-yl]formamide

N-[(E)-1-pentan-2-yliminobut-2-en-2-yl]formamide (PubChem CID 156711922) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(E)-1-pentan-2-yliminobut-2-en-2-yl]formamide.

Molecular Properties

Compound NameN-[(E)-1-pentan-2-yliminobut-2-en-2-yl]formamide
PubChem CID156711922
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(E)-1-pentan-2-yliminobut-2-en-2-yl]formamide
SMILESC/C=C(\C=N\C(C)CCC)NC=O
InChIInChI=1S/C10H18N2O/c1-4-6-9(3)11-7-10(5-2)12-8-13/h5,7-9H,4,6H2,1-3H3,(H,12,13)/b10-5+,11-7+
InChIKeyNFYUZBOUZIUKFG-JRNXONEVSA-N
XLogP1.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-N'-pentan-2-ylmethanimidamide
CID 130771700
3-hexan-2-ylimino-2-oxopropanoic acid
CID 123728199
2-[(2S)-pentan-2-yl]guanidine
CID 94416084
N-(3-ethylhexan-2-yl)formamide
CID 154666034
(Z)-N-formylbut-2-enamide;3-methylbutan-1-ol
CID 171813190
(Z)-N-[(2R)-butan-2-yl]-2-methylbut-2-en-1-imine
CID 89321973
N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide
CID 176984722
potassium;hydride;2-methylpentanal
CID 173401246
N-heptan-4-ylformamide
CID 14473374
2-methylpentanal;propanal
CID 23460116
2-methylpentane
CID 7892
4-amino-N-formylpentanamide
CID 143583899

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-pentan-2-yliminobut-2-en-2-yl]formamide?
The IUPAC name of N-[(E)-1-pentan-2-yliminobut-2-en-2-yl]formamide (CID 156711922) is N-[(E)-1-pentan-2-yliminobut-2-en-2-yl]formamide.
What is the SMILES notation for N-[(E)-1-pentan-2-yliminobut-2-en-2-yl]formamide?
The canonical SMILES for N-[(E)-1-pentan-2-yliminobut-2-en-2-yl]formamide is C/C=C(\C=N\C(C)CCC)NC=O.
What is the InChIKey of N-[(E)-1-pentan-2-yliminobut-2-en-2-yl]formamide?
The InChIKey is NFYUZBOUZIUKFG-JRNXONEVSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-6-9(3)11-7-10(5-2)12-8-13/h5,7-9H,4,6H2,1-3H3,(H,12,13)/b10-5+,11-7+.
What are the key properties of N-[(E)-1-pentan-2-yliminobut-2-en-2-yl]formamide?
N-[(E)-1-pentan-2-yliminobut-2-en-2-yl]formamide has a molecular weight of 182.27 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-pentan-2-yliminobut-2-en-2-yl]formamide is sourced from PubChem (CID 156711922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).