2,2-dimethyl-3-[4-methylpentan-2-yl(phosphanyl)amino]propanal

C11H23NOP+ — CID 91186189

IUPAC2,2-dimethyl-3-[4-methylpentan-2-yl(phosphanyl)amino]propanal
SMILES[CH2+]C(C)CC(C)N(P)CC(C)(C)C=O
InChIInChI=1S/C11H23NOP/c1-9(2)6-10(3)12(14)7-11(4,5)8-13/h8-10H,1,6-7,14H2,2-5H3/q+1
InChIKeyVAZYCGNPKVPGFH-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.55
Rot. Bonds6

About 2,2-dimethyl-3-[4-methylpentan-2-yl(phosphanyl)amino]propanal

2,2-dimethyl-3-[4-methylpentan-2-yl(phosphanyl)amino]propanal (PubChem CID 91186189) has the molecular formula C11H23NOP+ and a molecular weight of 216.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-methylpentan-2-yl(phosphanyl)amino]propanal.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-methylpentan-2-yl(phosphanyl)amino]propanal
PubChem CID91186189
Molecular FormulaC11H23NOP+
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2,2-dimethyl-3-[4-methylpentan-2-yl(phosphanyl)amino]propanal
SMILES[CH2+]C(C)CC(C)N(P)CC(C)(C)C=O
InChIInChI=1S/C11H23NOP/c1-9(2)6-10(3)12(14)7-11(4,5)8-13/h8-10H,1,6-7,14H2,2-5H3/q+1
InChIKeyVAZYCGNPKVPGFH-UHFFFAOYSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal
CID 62277918
3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal
CID 62276215
2,2-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal
CID 62276597
3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethylpropanal
CID 62277014
3-[1-(4-chlorophenyl)ethyl-methylamino]-2,2-dimethylpropanal
CID 55140473
N-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide
CID 15555425
2,2,5,7-tetramethyloctanal
CID 90450835
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal
CID 62276452
3-[ethyl(phosphanyl)amino]butanal
CID 58784331
ethanol;3-hydroxy-2,2-dimethylpropanal
CID 175112473
N,N-bis(4-methylpentan-2-yl)formamide
CID 57421709
3-[1-(3-chlorophenyl)ethyl-methylamino]-2,2-dimethylpropanal
CID 62984348

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-methylpentan-2-yl(phosphanyl)amino]propanal?
The IUPAC name of 2,2-dimethyl-3-[4-methylpentan-2-yl(phosphanyl)amino]propanal (CID 91186189) is 2,2-dimethyl-3-[4-methylpentan-2-yl(phosphanyl)amino]propanal.
What is the SMILES notation for 2,2-dimethyl-3-[4-methylpentan-2-yl(phosphanyl)amino]propanal?
The canonical SMILES for 2,2-dimethyl-3-[4-methylpentan-2-yl(phosphanyl)amino]propanal is [CH2+]C(C)CC(C)N(P)CC(C)(C)C=O.
What is the InChIKey of 2,2-dimethyl-3-[4-methylpentan-2-yl(phosphanyl)amino]propanal?
The InChIKey is VAZYCGNPKVPGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOP/c1-9(2)6-10(3)12(14)7-11(4,5)8-13/h8-10H,1,6-7,14H2,2-5H3/q+1.
What are the key properties of 2,2-dimethyl-3-[4-methylpentan-2-yl(phosphanyl)amino]propanal?
2,2-dimethyl-3-[4-methylpentan-2-yl(phosphanyl)amino]propanal has a molecular weight of 216.28 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-methylpentan-2-yl(phosphanyl)amino]propanal is sourced from PubChem (CID 91186189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).