2,2-dimethyl-3-(propan-2-ylamino)propanal

C8H17NO — CID 55287448

IUPAC2,2-dimethyl-3-(propan-2-ylamino)propanal
SMILESCC(C)NCC(C)(C)C=O
InChIInChI=1S/C8H17NO/c1-7(2)9-5-8(3,4)6-10/h6-7,9H,5H2,1-4H3
InChIKeyWQYJIGUJQRGLQF-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.21
Rot. Bonds4

About 2,2-dimethyl-3-(propan-2-ylamino)propanal

2,2-dimethyl-3-(propan-2-ylamino)propanal (PubChem CID 55287448) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2,2-dimethyl-3-(propan-2-ylamino)propanal.

Molecular Properties

Compound Name2,2-dimethyl-3-(propan-2-ylamino)propanal
PubChem CID55287448
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2,2-dimethyl-3-(propan-2-ylamino)propanal
SMILESCC(C)NCC(C)(C)C=O
InChIInChI=1S/C8H17NO/c1-7(2)9-5-8(3,4)6-10/h6-7,9H,5H2,1-4H3
InChIKeyWQYJIGUJQRGLQF-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Propanal, 3-(ethylamino)-2,2-dimethyl-
CID 11586309
3-(Methylamino)-2,2-dimethylpropanal
CID 15555432
3-(Tert-butylamino)-2,2-dimethylpropanal
CID 298051
3-(Propylamino)butanal
CID 13460894
3-(Butylamino)butanal
CID 13720910
3-[(2,2-Dimethyl-3-oxopropyl)amino]-2,2-dimethylpropanal
CID 15055098
3-(Butylamino)-2,2-dimethylpropanal
CID 15555429
3-(Propan-2-ylamino)propanal
CID 18976948
3-(Ethylamino)propanal
CID 21400086
3-Propylaminopropionaldehyde
CID 21400087
2-Methyl-3-(propylamino)propanal
CID 53791103
3-(2-Methylpropylamino)pentanal
CID 53838250

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(propan-2-ylamino)propanal?
The IUPAC name of 2,2-dimethyl-3-(propan-2-ylamino)propanal (CID 55287448) is 2,2-dimethyl-3-(propan-2-ylamino)propanal.
What is the SMILES notation for 2,2-dimethyl-3-(propan-2-ylamino)propanal?
The canonical SMILES for 2,2-dimethyl-3-(propan-2-ylamino)propanal is CC(C)NCC(C)(C)C=O.
What is the InChIKey of 2,2-dimethyl-3-(propan-2-ylamino)propanal?
The InChIKey is WQYJIGUJQRGLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)9-5-8(3,4)6-10/h6-7,9H,5H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(propan-2-ylamino)propanal?
2,2-dimethyl-3-(propan-2-ylamino)propanal has a molecular weight of 143.23 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(propan-2-ylamino)propanal is sourced from PubChem (CID 55287448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).