N-ethyl-N-methyltridecan-1-amine

C16H35N — CID 71442842

IUPACN-ethyl-N-methyltridecan-1-amine
SMILESCCCCCCCCCCCCCN(C)CC
InChIInChI=1S/C16H35N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2/h4-16H2,1-3H3
InChIKeyCHYBOJUEYDCEBO-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.25
Rot. Bonds13

About N-ethyl-N-methyltridecan-1-amine

N-ethyl-N-methyltridecan-1-amine (PubChem CID 71442842) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N-ethyl-N-methyltridecan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methyltridecan-1-amine
PubChem CID71442842
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN-ethyl-N-methyltridecan-1-amine
SMILESCCCCCCCCCCCCCN(C)CC
InChIInChI=1S/C16H35N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2/h4-16H2,1-3H3
InChIKeyCHYBOJUEYDCEBO-UHFFFAOYSA-N
XLogP5.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-N-methyltridecan-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

N-ethyl-N-methyloctadecan-1-amine;hydrochloride
CID 174373981
N-ethyl-N-methyldodecan-1-amine;hydrochloride
CID 86105251
N,N'-diethyl-N,N'-dimethylbutane-1,4-diamine;N-ethyl-N,N'-dimethyl-N'-pentylbutane-1,4-diamine;hexane
CID 160540999
ethane;N-ethyl-N-methylpentan-1-amine
CID 142145247
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyltridecan-1-amine?
The IUPAC name of N-ethyl-N-methyltridecan-1-amine (CID 71442842) is N-ethyl-N-methyltridecan-1-amine.
What is the SMILES notation for N-ethyl-N-methyltridecan-1-amine?
The canonical SMILES for N-ethyl-N-methyltridecan-1-amine is CCCCCCCCCCCCCN(C)CC.
What is the InChIKey of N-ethyl-N-methyltridecan-1-amine?
The InChIKey is CHYBOJUEYDCEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2/h4-16H2,1-3H3.
What are the key properties of N-ethyl-N-methyltridecan-1-amine?
N-ethyl-N-methyltridecan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 5.25, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyltridecan-1-amine is sourced from PubChem (CID 71442842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).