(6S)-8-amino-6-methyl-7-phosphanyldecanal

C11H24NOP — CID 129152572

IUPAC(6S)-8-amino-6-methyl-7-phosphanyldecanal
SMILESCCC(N)C(P)[C@@H](C)CCCCC=O
InChIInChI=1S/C11H24NOP/c1-3-10(12)11(14)9(2)7-5-4-6-8-13/h8-11H,3-7,12,14H2,1-2H3/t9-,10?,11?/m0/s1
InChIKeySWBGKPLHMUKELH-WHXUTIOJSA-N
MW217.29 g/mol
LogP2.36
Rot. Bonds8

About (6S)-8-amino-6-methyl-7-phosphanyldecanal

(6S)-8-amino-6-methyl-7-phosphanyldecanal (PubChem CID 129152572) has the molecular formula C11H24NOP and a molecular weight of 217.29 g/mol. Its IUPAC name is (6S)-8-amino-6-methyl-7-phosphanyldecanal.

Molecular Properties

Compound Name(6S)-8-amino-6-methyl-7-phosphanyldecanal
PubChem CID129152572
Molecular FormulaC11H24NOP
Molecular Weight217.29 g/mol
Exact Mass217.16
IUPAC Name(6S)-8-amino-6-methyl-7-phosphanyldecanal
SMILESCCC(N)C(P)[C@@H](C)CCCCC=O
InChIInChI=1S/C11H24NOP/c1-3-10(12)11(14)9(2)7-5-4-6-8-13/h8-11H,3-7,12,14H2,1-2H3/t9-,10?,11?/m0/s1
InChIKeySWBGKPLHMUKELH-WHXUTIOJSA-N
XLogP2.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
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

(6S,7R)-7-methoxy-6-methylnonanal
CID 24879565
8-aminodecanal
CID 173156180
4-methyldodec-11-en-3-amine
CID 141026848
(E)-14-methylhexadec-8-enal
CID 6073809
22-methyltricosanal
CID 86049143
alumane;6-methylheptanal
CID 174999973
12-methyltridecanal
CID 146297718
18-methylnonadecanal
CID 22123977
10-propan-2-ylnonadecanal
CID 167408636
alumane;5-methylheptanal
CID 175597367
methane;12-methyltridecanal
CID 175307429
12-hydroxytetradecanal
CID 90714775

Frequently Asked Questions

What is the IUPAC name of (6S)-8-amino-6-methyl-7-phosphanyldecanal?
The IUPAC name of (6S)-8-amino-6-methyl-7-phosphanyldecanal (CID 129152572) is (6S)-8-amino-6-methyl-7-phosphanyldecanal.
What is the SMILES notation for (6S)-8-amino-6-methyl-7-phosphanyldecanal?
The canonical SMILES for (6S)-8-amino-6-methyl-7-phosphanyldecanal is CCC(N)C(P)[C@@H](C)CCCCC=O.
What is the InChIKey of (6S)-8-amino-6-methyl-7-phosphanyldecanal?
The InChIKey is SWBGKPLHMUKELH-WHXUTIOJSA-N. The full InChI is InChI=1S/C11H24NOP/c1-3-10(12)11(14)9(2)7-5-4-6-8-13/h8-11H,3-7,12,14H2,1-2H3/t9-,10?,11?/m0/s1.
What are the key properties of (6S)-8-amino-6-methyl-7-phosphanyldecanal?
(6S)-8-amino-6-methyl-7-phosphanyldecanal has a molecular weight of 217.29 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-amino-6-methyl-7-phosphanyldecanal is sourced from PubChem (CID 129152572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).