3-methoxy-N,2-dimethylundec-10-en-4-amine

C14H29NO — CID 107009694

IUPAC3-methoxy-N,2-dimethylundec-10-en-4-amine
SMILESC=CCCCCCC(NC)C(OC)C(C)C
InChIInChI=1S/C14H29NO/c1-6-7-8-9-10-11-13(15-4)14(16-5)12(2)3/h6,12-15H,1,7-11H2,2-5H3
InChIKeySJNPIGJRWHNFNJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.38
Rot. Bonds10

About 3-methoxy-N,2-dimethylundec-10-en-4-amine

3-methoxy-N,2-dimethylundec-10-en-4-amine (PubChem CID 107009694) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-methoxy-N,2-dimethylundec-10-en-4-amine.

Molecular Properties

Compound Name3-methoxy-N,2-dimethylundec-10-en-4-amine
PubChem CID107009694
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-methoxy-N,2-dimethylundec-10-en-4-amine
SMILESC=CCCCCCC(NC)C(OC)C(C)C
InChIInChI=1S/C14H29NO/c1-6-7-8-9-10-11-13(15-4)14(16-5)12(2)3/h6,12-15H,1,7-11H2,2-5H3
InChIKeySJNPIGJRWHNFNJ-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,2-dimethylundec-10-en-4-amine?
The IUPAC name of 3-methoxy-N,2-dimethylundec-10-en-4-amine (CID 107009694) is 3-methoxy-N,2-dimethylundec-10-en-4-amine.
What is the SMILES notation for 3-methoxy-N,2-dimethylundec-10-en-4-amine?
The canonical SMILES for 3-methoxy-N,2-dimethylundec-10-en-4-amine is C=CCCCCCC(NC)C(OC)C(C)C.
What is the InChIKey of 3-methoxy-N,2-dimethylundec-10-en-4-amine?
The InChIKey is SJNPIGJRWHNFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-7-8-9-10-11-13(15-4)14(16-5)12(2)3/h6,12-15H,1,7-11H2,2-5H3.
What are the key properties of 3-methoxy-N,2-dimethylundec-10-en-4-amine?
3-methoxy-N,2-dimethylundec-10-en-4-amine has a molecular weight of 227.39 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,2-dimethylundec-10-en-4-amine is sourced from PubChem (CID 107009694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).