12-methoxy-N-methyltridec-12-en-1-amine

C15H31NO — CID 145295234

IUPAC12-methoxy-N-methyltridec-12-en-1-amine
SMILESC=C(CCCCCCCCCCCNC)OC
InChIInChI=1S/C15H31NO/c1-15(17-3)13-11-9-7-5-4-6-8-10-12-14-16-2/h16H,1,4-14H2,2-3H3
InChIKeyUWSWDTCXFJDXAM-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.27
Rot. Bonds13

About 12-methoxy-N-methyltridec-12-en-1-amine

12-methoxy-N-methyltridec-12-en-1-amine (PubChem CID 145295234) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 12-methoxy-N-methyltridec-12-en-1-amine.

Molecular Properties

Compound Name12-methoxy-N-methyltridec-12-en-1-amine
PubChem CID145295234
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name12-methoxy-N-methyltridec-12-en-1-amine
SMILESC=C(CCCCCCCCCCCNC)OC
InChIInChI=1S/C15H31NO/c1-15(17-3)13-11-9-7-5-4-6-8-10-12-14-16-2/h16H,1,4-14H2,2-3H3
InChIKeyUWSWDTCXFJDXAM-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 12-methoxy-N-methyltridec-12-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxyicos-1-ene
CID 175283491
1-N-methylhept-6-ene-1,6-diamine
CID 142387852
7-(methylamino)-2-methylideneheptanoic acid
CID 118649610
2-methoxyocta-1,7-diene
CID 16726270
N-ethyl-4-methoxypent-4-en-1-amine
CID 142218478
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
6-(methylamino)hexanoic acid
CID 4989372
13-(methylamino)tridecan-2-one
CID 23382037
N-methyl-11-(methylamino)undecanamide
CID 59809097
ethane;7-(methylamino)heptan-2-one
CID 176694896
methyl N-[12-(methylamino)dodecyl]carbamate
CID 158871093
5-(methylamino)pentanoic acid
CID 91583432

Frequently Asked Questions

What is the IUPAC name of 12-methoxy-N-methyltridec-12-en-1-amine?
The IUPAC name of 12-methoxy-N-methyltridec-12-en-1-amine (CID 145295234) is 12-methoxy-N-methyltridec-12-en-1-amine.
What is the SMILES notation for 12-methoxy-N-methyltridec-12-en-1-amine?
The canonical SMILES for 12-methoxy-N-methyltridec-12-en-1-amine is C=C(CCCCCCCCCCCNC)OC.
What is the InChIKey of 12-methoxy-N-methyltridec-12-en-1-amine?
The InChIKey is UWSWDTCXFJDXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-15(17-3)13-11-9-7-5-4-6-8-10-12-14-16-2/h16H,1,4-14H2,2-3H3.
What are the key properties of 12-methoxy-N-methyltridec-12-en-1-amine?
12-methoxy-N-methyltridec-12-en-1-amine has a molecular weight of 241.42 g/mol, XLogP of 4.27, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methoxy-N-methyltridec-12-en-1-amine is sourced from PubChem (CID 145295234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).