3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethylpropanal

C12H23NO — CID 62277014

IUPAC3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethylpropanal
SMILESCC(C)N(CC1CC1)CC(C)(C)C=O
InChIInChI=1S/C12H23NO/c1-10(2)13(7-11-5-6-11)8-12(3,4)9-14/h9-11H,5-8H2,1-4H3
InChIKeyPGCACGPPNMXLJF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds6

About 3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethylpropanal

3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethylpropanal (PubChem CID 62277014) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethylpropanal
PubChem CID62277014
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethylpropanal
SMILESCC(C)N(CC1CC1)CC(C)(C)C=O
InChIInChI=1S/C12H23NO/c1-10(2)13(7-11-5-6-11)8-12(3,4)9-14/h9-11H,5-8H2,1-4H3
InChIKeyPGCACGPPNMXLJF-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diethylaminopivalaldehyde
CID 80653
3-[Cyclopropyl(ethyl)amino]-2,2-dimethylpropanal
CID 62277144
3-(Dipropylamino)-2,2-dimethylpropanal
CID 230583
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal
CID 62277357
3-(Dibutylamino)butanal
CID 22611173
3-[Di(propan-2-yl)amino]propanal
CID 22928533
3-[Bis(2-methylpropyl)amino]butanal
CID 53777536
3-[Bis(2-methylpropyl)amino]propanal
CID 54087082
2-[Cyclopropyl(2-methylpropyl)amino]acetaldehyde
CID 61741083
2-[Cyclopropylmethyl(propan-2-yl)amino]acetaldehyde
CID 61741087
2,2-Dimethyl-3-[methyl(propyl)amino]propanal
CID 62275626
3-[Butan-2-yl(methyl)amino]-2,2-dimethylpropanal
CID 62275806

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethylpropanal?
The IUPAC name of 3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethylpropanal (CID 62277014) is 3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethylpropanal?
The canonical SMILES for 3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethylpropanal is CC(C)N(CC1CC1)CC(C)(C)C=O.
What is the InChIKey of 3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethylpropanal?
The InChIKey is PGCACGPPNMXLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)13(7-11-5-6-11)8-12(3,4)9-14/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethylpropanal?
3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethylpropanal has a molecular weight of 197.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethylpropanal is sourced from PubChem (CID 62277014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).