3-amino-5,7-dimethyl-9-methylidenedodecanal

C15H29NO — CID 134332421

IUPAC3-amino-5,7-dimethyl-9-methylidenedodecanal
SMILESC=C(CCC)CC(C)CC(C)CC(N)CC=O
InChIInChI=1S/C15H29NO/c1-5-6-12(2)9-13(3)10-14(4)11-15(16)7-8-17/h8,13-15H,2,5-7,9-11,16H2,1,3-4H3
InChIKeyUKMIZPFGSXJTRA-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.70
Rot. Bonds10

About 3-amino-5,7-dimethyl-9-methylidenedodecanal

3-amino-5,7-dimethyl-9-methylidenedodecanal (PubChem CID 134332421) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-amino-5,7-dimethyl-9-methylidenedodecanal.

Molecular Properties

Compound Name3-amino-5,7-dimethyl-9-methylidenedodecanal
PubChem CID134332421
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-amino-5,7-dimethyl-9-methylidenedodecanal
SMILESC=C(CCC)CC(C)CC(C)CC(N)CC=O
InChIInChI=1S/C15H29NO/c1-5-6-12(2)9-13(3)10-14(4)11-15(16)7-8-17/h8,13-15H,2,5-7,9-11,16H2,1,3-4H3
InChIKeyUKMIZPFGSXJTRA-UHFFFAOYSA-N
XLogP3.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,7-dimethyl-5-methylideneoctanal
CID 164909395
4-methylideneheptanal
CID 130026370
methyl 2-acetyl-4-methylideneheptanoate
CID 14194541
S-(1,4-dioxoheptan-3-yl) ethanethioate
CID 71363968
4-amino-2-(methylideneamino)hexanedial
CID 153242909
4,7-dimethylidenedecane
CID 543440
3-(3,3-diaminoprop-1-en-2-ylamino)butanal
CID 135130114
2-bromo-4-methyl-6-methylideneoctane
CID 66037621
ethyl (2S)-2-amino-4-oxobutanoate
CID 174339605
3-amino-4,5-dioxoicosanal
CID 56976787
3-(4,6,8,10,12-pentamethyl-2-methylidenetridecyl)oxolane-2,5-dione
CID 58626887
(3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride
CID 11701275

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,7-dimethyl-9-methylidenedodecanal?
The IUPAC name of 3-amino-5,7-dimethyl-9-methylidenedodecanal (CID 134332421) is 3-amino-5,7-dimethyl-9-methylidenedodecanal.
What is the SMILES notation for 3-amino-5,7-dimethyl-9-methylidenedodecanal?
The canonical SMILES for 3-amino-5,7-dimethyl-9-methylidenedodecanal is C=C(CCC)CC(C)CC(C)CC(N)CC=O.
What is the InChIKey of 3-amino-5,7-dimethyl-9-methylidenedodecanal?
The InChIKey is UKMIZPFGSXJTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-6-12(2)9-13(3)10-14(4)11-15(16)7-8-17/h8,13-15H,2,5-7,9-11,16H2,1,3-4H3.
What are the key properties of 3-amino-5,7-dimethyl-9-methylidenedodecanal?
3-amino-5,7-dimethyl-9-methylidenedodecanal has a molecular weight of 239.40 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,7-dimethyl-9-methylidenedodecanal is sourced from PubChem (CID 134332421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).