6-[methyl(phosphanyl)amino]hexanal

C7H16NOP — CID 146297565

IUPAC6-[methyl(phosphanyl)amino]hexanal
SMILESCN(P)CCCCCC=O
InChIInChI=1S/C7H16NOP/c1-8(10)6-4-2-3-5-7-9/h7H,2-6,10H2,1H3
InChIKeyNTYXWUPZXQCVSW-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.47
Rot. Bonds6

About 6-[methyl(phosphanyl)amino]hexanal

6-[methyl(phosphanyl)amino]hexanal (PubChem CID 146297565) has the molecular formula C7H16NOP and a molecular weight of 161.19 g/mol. Its IUPAC name is 6-[methyl(phosphanyl)amino]hexanal.

Molecular Properties

Compound Name6-[methyl(phosphanyl)amino]hexanal
PubChem CID146297565
Molecular FormulaC7H16NOP
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name6-[methyl(phosphanyl)amino]hexanal
SMILESCN(P)CCCCCC=O
InChIInChI=1S/C7H16NOP/c1-8(10)6-4-2-3-5-7-9/h7H,2-6,10H2,1H3
InChIKeyNTYXWUPZXQCVSW-UHFFFAOYSA-N
XLogP1.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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pentadecanedial
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CID 157361056
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CID 170733192
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CID 173078093
undecanal;hydrate
CID 154984235
decanal;dihydrochloride
CID 87616227
azane;octadecanal
CID 87079794
ruthenium;tridecanal
CID 175429355

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(phosphanyl)amino]hexanal?
The IUPAC name of 6-[methyl(phosphanyl)amino]hexanal (CID 146297565) is 6-[methyl(phosphanyl)amino]hexanal.
What is the SMILES notation for 6-[methyl(phosphanyl)amino]hexanal?
The canonical SMILES for 6-[methyl(phosphanyl)amino]hexanal is CN(P)CCCCCC=O.
What is the InChIKey of 6-[methyl(phosphanyl)amino]hexanal?
The InChIKey is NTYXWUPZXQCVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NOP/c1-8(10)6-4-2-3-5-7-9/h7H,2-6,10H2,1H3.
What are the key properties of 6-[methyl(phosphanyl)amino]hexanal?
6-[methyl(phosphanyl)amino]hexanal has a molecular weight of 161.19 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(phosphanyl)amino]hexanal is sourced from PubChem (CID 146297565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).