2-(benzylamino)-2-(propan-2-ylamino)acetaldehyde

C12H18N2O — CID 134382885

IUPAC2-(benzylamino)-2-(propan-2-ylamino)acetaldehyde
SMILESCC(C)NC(C=O)NCc1ccccc1
InChIInChI=1S/C12H18N2O/c1-10(2)14-12(9-15)13-8-11-6-4-3-5-7-11/h3-7,9-10,12-14H,8H2,1-2H3
InChIKeyOGKKTEUMKKPWHN-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.30
Rot. Bonds6

About 2-(benzylamino)-2-(propan-2-ylamino)acetaldehyde

2-(benzylamino)-2-(propan-2-ylamino)acetaldehyde (PubChem CID 134382885) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(benzylamino)-2-(propan-2-ylamino)acetaldehyde.

Molecular Properties

Compound Name2-(benzylamino)-2-(propan-2-ylamino)acetaldehyde
PubChem CID134382885
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(benzylamino)-2-(propan-2-ylamino)acetaldehyde
SMILESCC(C)NC(C=O)NCc1ccccc1
InChIInChI=1S/C12H18N2O/c1-10(2)14-12(9-15)13-8-11-6-4-3-5-7-11/h3-7,9-10,12-14H,8H2,1-2H3
InChIKeyOGKKTEUMKKPWHN-UHFFFAOYSA-N
XLogP1.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-silylethanamine
CID 173405128
(4R)-4-(benzylamino)pent-2-enoic acid
CID 70864583
(4S)-4-(benzylamino)pent-2-enoic acid
CID 70864574
N-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine
CID 153313858
(2R,3R)-2-(benzylamino)-3-methylpent-4-enoic acid
CID 124634030
N-benzylpent-3-en-2-amine
CID 71339896
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
N-benzyl-1-isocyanoethanamine
CID 21050847
N-benzyl-2-deuterio-3-methylbutan-2-amine
CID 155272409
(3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine
CID 10911987
N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
N-benzylpropan-2-amine;cumene;methane;yttrium
CID 159029176

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(propan-2-ylamino)acetaldehyde?
The IUPAC name of 2-(benzylamino)-2-(propan-2-ylamino)acetaldehyde (CID 134382885) is 2-(benzylamino)-2-(propan-2-ylamino)acetaldehyde.
What is the SMILES notation for 2-(benzylamino)-2-(propan-2-ylamino)acetaldehyde?
The canonical SMILES for 2-(benzylamino)-2-(propan-2-ylamino)acetaldehyde is CC(C)NC(C=O)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-2-(propan-2-ylamino)acetaldehyde?
The InChIKey is OGKKTEUMKKPWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(2)14-12(9-15)13-8-11-6-4-3-5-7-11/h3-7,9-10,12-14H,8H2,1-2H3.
What are the key properties of 2-(benzylamino)-2-(propan-2-ylamino)acetaldehyde?
2-(benzylamino)-2-(propan-2-ylamino)acetaldehyde has a molecular weight of 206.29 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(propan-2-ylamino)acetaldehyde is sourced from PubChem (CID 134382885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).