(3S)-4-(dimethylamino)-3-methylbutanal

C7H15NO — CID 174590947

IUPAC(3S)-4-(dimethylamino)-3-methylbutanal
SMILESC[C@@H](CC=O)CN(C)C
InChIInChI=1S/C7H15NO/c1-7(4-5-9)6-8(2)3/h5,7H,4,6H2,1-3H3/t7-/m0/s1
InChIKeyBHBILKVDFPNSID-ZETCQYMHSA-N
MW129.20 g/mol
LogP0.77
Rot. Bonds4

About (3S)-4-(dimethylamino)-3-methylbutanal

(3S)-4-(dimethylamino)-3-methylbutanal (PubChem CID 174590947) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3S)-4-(dimethylamino)-3-methylbutanal.

Molecular Properties

Compound Name(3S)-4-(dimethylamino)-3-methylbutanal
PubChem CID174590947
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3S)-4-(dimethylamino)-3-methylbutanal
SMILESC[C@@H](CC=O)CN(C)C
InChIInChI=1S/C7H15NO/c1-7(4-5-9)6-8(2)3/h5,7H,4,6H2,1-3H3/t7-/m0/s1
InChIKeyBHBILKVDFPNSID-ZETCQYMHSA-N
XLogP0.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(dimethylamino)-3-methylbutanal?
The IUPAC name of (3S)-4-(dimethylamino)-3-methylbutanal (CID 174590947) is (3S)-4-(dimethylamino)-3-methylbutanal.
What is the SMILES notation for (3S)-4-(dimethylamino)-3-methylbutanal?
The canonical SMILES for (3S)-4-(dimethylamino)-3-methylbutanal is C[C@@H](CC=O)CN(C)C.
What is the InChIKey of (3S)-4-(dimethylamino)-3-methylbutanal?
The InChIKey is BHBILKVDFPNSID-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(4-5-9)6-8(2)3/h5,7H,4,6H2,1-3H3/t7-/m0/s1.
What are the key properties of (3S)-4-(dimethylamino)-3-methylbutanal?
(3S)-4-(dimethylamino)-3-methylbutanal has a molecular weight of 129.20 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(dimethylamino)-3-methylbutanal is sourced from PubChem (CID 174590947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).