4-methyldodec-11-en-3-amine

C13H27N — CID 141026848

IUPAC4-methyldodec-11-en-3-amine
SMILESC=CCCCCCCC(C)C(N)CC
InChIInChI=1S/C13H27N/c1-4-6-7-8-9-10-11-12(3)13(14)5-2/h4,12-13H,1,5-11,14H2,2-3H3
InChIKeyIQDYGEBPXYORBX-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.89
Rot. Bonds9

About 4-methyldodec-11-en-3-amine

4-methyldodec-11-en-3-amine (PubChem CID 141026848) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 4-methyldodec-11-en-3-amine.

Molecular Properties

Compound Name4-methyldodec-11-en-3-amine
PubChem CID141026848
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name4-methyldodec-11-en-3-amine
SMILESC=CCCCCCCC(C)C(N)CC
InChIInChI=1S/C13H27N/c1-4-6-7-8-9-10-11-12(3)13(14)5-2/h4,12-13H,1,5-11,14H2,2-3H3
InChIKeyIQDYGEBPXYORBX-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methylundecan-3-amine
CID 63562083
3-methyldodec-11-en-5-amine
CID 107011856
11-methyltridec-1-ene
CID 528465
14-methylhexadec-1-ene
CID 86185732
12-propan-2-yltricosa-1,22-diene
CID 102161324
26-methylheptacos-1-ene
CID 154926473
25-methylhexacos-1-ene
CID 141407501
octadec-17-ene-1,1-diamine
CID 87111501
(4S)-non-8-en-4-amine
CID 10678342
(4R)-non-8-en-4-amine
CID 10796847
2-methoxydodec-11-en-5-amine
CID 107012126
8-methylnonadec-1-ene
CID 90877384

Frequently Asked Questions

What is the IUPAC name of 4-methyldodec-11-en-3-amine?
The IUPAC name of 4-methyldodec-11-en-3-amine (CID 141026848) is 4-methyldodec-11-en-3-amine.
What is the SMILES notation for 4-methyldodec-11-en-3-amine?
The canonical SMILES for 4-methyldodec-11-en-3-amine is C=CCCCCCCC(C)C(N)CC.
What is the InChIKey of 4-methyldodec-11-en-3-amine?
The InChIKey is IQDYGEBPXYORBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-6-7-8-9-10-11-12(3)13(14)5-2/h4,12-13H,1,5-11,14H2,2-3H3.
What are the key properties of 4-methyldodec-11-en-3-amine?
4-methyldodec-11-en-3-amine has a molecular weight of 197.37 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyldodec-11-en-3-amine is sourced from PubChem (CID 141026848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).