N-propan-2-yl-3-propan-2-yliminopropanamide

C9H18N2O — CID 91507589

IUPACN-propan-2-yl-3-propan-2-yliminopropanamide
SMILESCC(C)/N=C/CC(=O)NC(C)C
InChIInChI=1S/C9H18N2O/c1-7(2)10-6-5-9(12)11-8(3)4/h6-8H,5H2,1-4H3,(H,11,12)/b10-6+
InChIKeyBKZKGVXCKGNLFE-UXBLZVDNSA-N
MW170.26 g/mol
LogP1.38
Rot. Bonds4

About N-propan-2-yl-3-propan-2-yliminopropanamide

N-propan-2-yl-3-propan-2-yliminopropanamide (PubChem CID 91507589) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-propan-2-yl-3-propan-2-yliminopropanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-propan-2-yliminopropanamide
PubChem CID91507589
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-propan-2-yl-3-propan-2-yliminopropanamide
SMILESCC(C)/N=C/CC(=O)NC(C)C
InChIInChI=1S/C9H18N2O/c1-7(2)10-6-5-9(12)11-8(3)4/h6-8H,5H2,1-4H3,(H,11,12)/b10-6+
InChIKeyBKZKGVXCKGNLFE-UXBLZVDNSA-N
XLogP1.38
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[(2S)-1-iminobutan-2-yl]propanamide
CID 174468139
(3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione
CID 155931774
N-butan-2-yl-2-methyliminopropanamide
CID 20701559
5-methyl-2,5-dihydro-1H-pyrazin-6-one
CID 22097245
2-ethylimino-N-propan-2-ylpropanamide
CID 53829858
2-methylimino-N-propan-2-ylpropanamide
CID 54222659
N-butyl-3-iminobutanamide
CID 54455943
N-methyl-N-(1-methyliminobutan-2-yl)propanamide
CID 54481051
N-ethyl-3-(ethylideneamino)propanamide
CID 57573724
2-[[2-(ethylideneamino)acetyl]amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 57712178
N-propan-2-yl-2-propan-2-yliminoacetamide
CID 58663273
N-(3-iminopropyl)acetamide
CID 89441657

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-propan-2-yliminopropanamide?
The IUPAC name of N-propan-2-yl-3-propan-2-yliminopropanamide (CID 91507589) is N-propan-2-yl-3-propan-2-yliminopropanamide.
What is the SMILES notation for N-propan-2-yl-3-propan-2-yliminopropanamide?
The canonical SMILES for N-propan-2-yl-3-propan-2-yliminopropanamide is CC(C)/N=C/CC(=O)NC(C)C.
What is the InChIKey of N-propan-2-yl-3-propan-2-yliminopropanamide?
The InChIKey is BKZKGVXCKGNLFE-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)10-6-5-9(12)11-8(3)4/h6-8H,5H2,1-4H3,(H,11,12)/b10-6+.
What are the key properties of N-propan-2-yl-3-propan-2-yliminopropanamide?
N-propan-2-yl-3-propan-2-yliminopropanamide has a molecular weight of 170.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-propan-2-yliminopropanamide is sourced from PubChem (CID 91507589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).