3,4-diethyl-N,2-dimethylheptan-1-amine

C13H29N — CID 123701896

IUPAC3,4-diethyl-N,2-dimethylheptan-1-amine
SMILESCCCC(CC)C(CC)C(C)CNC
InChIInChI=1S/C13H29N/c1-6-9-12(7-2)13(8-3)11(4)10-14-5/h11-14H,6-10H2,1-5H3
InChIKeyDASDOCMCJDNZGO-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.69
Rot. Bonds8

About 3,4-diethyl-N,2-dimethylheptan-1-amine

3,4-diethyl-N,2-dimethylheptan-1-amine (PubChem CID 123701896) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 3,4-diethyl-N,2-dimethylheptan-1-amine.

Molecular Properties

Compound Name3,4-diethyl-N,2-dimethylheptan-1-amine
PubChem CID123701896
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name3,4-diethyl-N,2-dimethylheptan-1-amine
SMILESCCCC(CC)C(CC)C(C)CNC
InChIInChI=1S/C13H29N/c1-6-9-12(7-2)13(8-3)11(4)10-14-5/h11-14H,6-10H2,1-5H3
InChIKeyDASDOCMCJDNZGO-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,5,6,7-tetraethyldecane
CID 101052128
3-ethyl-N,2,4-trimethylpentan-1-amine
CID 123681641
3,4,5-triethyloctane
CID 57492611
4,5-diethyloctane
CID 519254
4-ethyl-N,2,3-trimethylhexan-1-amine
CID 81016433
3,4-diethylheptane-2-thiol
CID 174326540
4,5,7-triethyl-3-methyl-6-propyldecane
CID 91308748
(3S)-2-ethyl-N,3-dimethylpentan-1-amine
CID 163536067
2-ethyl-N-methylpentan-1-amine;propane
CID 143462607
tris(3,4-diethylheptane);methane
CID 160558798
3,4-diethylheptane;ethane
CID 144734225
3-ethyl-N,2-dimethylhexane-1,6-diamine
CID 167243609

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-N,2-dimethylheptan-1-amine?
The IUPAC name of 3,4-diethyl-N,2-dimethylheptan-1-amine (CID 123701896) is 3,4-diethyl-N,2-dimethylheptan-1-amine.
What is the SMILES notation for 3,4-diethyl-N,2-dimethylheptan-1-amine?
The canonical SMILES for 3,4-diethyl-N,2-dimethylheptan-1-amine is CCCC(CC)C(CC)C(C)CNC.
What is the InChIKey of 3,4-diethyl-N,2-dimethylheptan-1-amine?
The InChIKey is DASDOCMCJDNZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-9-12(7-2)13(8-3)11(4)10-14-5/h11-14H,6-10H2,1-5H3.
What are the key properties of 3,4-diethyl-N,2-dimethylheptan-1-amine?
3,4-diethyl-N,2-dimethylheptan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-N,2-dimethylheptan-1-amine is sourced from PubChem (CID 123701896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).