N,3-diethyl-N-methyloctan-1-amine

C13H29N — CID 143503183

IUPACN,3-diethyl-N-methyloctan-1-amine
SMILESCCCCCC(CC)CCN(C)CC
InChIInChI=1S/C13H29N/c1-5-8-9-10-13(6-2)11-12-14(4)7-3/h13H,5-12H2,1-4H3
InChIKeyMZVJZCHZPGBDGI-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.93
Rot. Bonds9

About N,3-diethyl-N-methyloctan-1-amine

N,3-diethyl-N-methyloctan-1-amine (PubChem CID 143503183) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,3-diethyl-N-methyloctan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-N-methyloctan-1-amine
PubChem CID143503183
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,3-diethyl-N-methyloctan-1-amine
SMILESCCCCCC(CC)CCN(C)CC
InChIInChI=1S/C13H29N/c1-5-8-9-10-13(6-2)11-12-14(4)7-3/h13H,5-12H2,1-4H3
InChIKeyMZVJZCHZPGBDGI-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
(3R)-3-ethyl-6-[ethyl(methyl)amino]hexan-1-ol
CID 118890243
3,6-diethylundecane
CID 22051817
7-ethyltridecane;methane
CID 158982306
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
3-ethylicosane
CID 528487
3-ethylpentacosane
CID 22224239
3-ethyloctane;propane
CID 143682929

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-N-methyloctan-1-amine?
The IUPAC name of N,3-diethyl-N-methyloctan-1-amine (CID 143503183) is N,3-diethyl-N-methyloctan-1-amine.
What is the SMILES notation for N,3-diethyl-N-methyloctan-1-amine?
The canonical SMILES for N,3-diethyl-N-methyloctan-1-amine is CCCCCC(CC)CCN(C)CC.
What is the InChIKey of N,3-diethyl-N-methyloctan-1-amine?
The InChIKey is MZVJZCHZPGBDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-5-8-9-10-13(6-2)11-12-14(4)7-3/h13H,5-12H2,1-4H3.
What are the key properties of N,3-diethyl-N-methyloctan-1-amine?
N,3-diethyl-N-methyloctan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.93, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-N-methyloctan-1-amine is sourced from PubChem (CID 143503183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).