N-ethyl-3,3,6-trimethyloctan-4-amine

C13H29N — CID 115846245

IUPACN-ethyl-3,3,6-trimethyloctan-4-amine
SMILESCCNC(CC(C)CC)C(C)(C)CC
InChIInChI=1S/C13H29N/c1-7-11(4)10-12(14-9-3)13(5,6)8-2/h11-12,14H,7-10H2,1-6H3
InChIKeyCGWYWUAHWAQELK-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds7

About N-ethyl-3,3,6-trimethyloctan-4-amine

N-ethyl-3,3,6-trimethyloctan-4-amine (PubChem CID 115846245) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-ethyl-3,3,6-trimethyloctan-4-amine.

Molecular Properties

Compound NameN-ethyl-3,3,6-trimethyloctan-4-amine
PubChem CID115846245
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-ethyl-3,3,6-trimethyloctan-4-amine
SMILESCCNC(CC(C)CC)C(C)(C)CC
InChIInChI=1S/C13H29N/c1-7-11(4)10-12(14-9-3)13(5,6)8-2/h11-12,14H,7-10H2,1-6H3
InChIKeyCGWYWUAHWAQELK-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethoxy-N-ethyl-3,6-dimethyloctan-4-amine
CID 116759157
N-ethyl-2,4,4-trimethylhexan-3-amine
CID 114978547
N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine
CID 115854187
N-ethyl-3,6-dimethyloctan-4-amine
CID 63717606
N-ethyl-3,3-dimethyl-1-(4-methylphenyl)pentan-2-amine
CID 62678800
N-ethyl-2,5,7-trimethyl-2-methylsulfonyloctan-3-amine
CID 114201731
N,3-diethyl-7-methylnonan-5-amine
CID 105028147
3-N,3-N,4-N,3-tetraethyl-6-methylnonane-3,4-diamine
CID 79068123
3,3,5,7-tetramethylnonane
CID 57490983
3,5-dimethylheptane;ethane
CID 172617343
3-(3,3-dimethylpentan-2-yloxymethyl)-4-ethyl-6-methyloctane
CID 144561168
N-ethyl-1,1-dimethoxy-4-methylhexan-2-amine
CID 79492342

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3,6-trimethyloctan-4-amine?
The IUPAC name of N-ethyl-3,3,6-trimethyloctan-4-amine (CID 115846245) is N-ethyl-3,3,6-trimethyloctan-4-amine.
What is the SMILES notation for N-ethyl-3,3,6-trimethyloctan-4-amine?
The canonical SMILES for N-ethyl-3,3,6-trimethyloctan-4-amine is CCNC(CC(C)CC)C(C)(C)CC.
What is the InChIKey of N-ethyl-3,3,6-trimethyloctan-4-amine?
The InChIKey is CGWYWUAHWAQELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-11(4)10-12(14-9-3)13(5,6)8-2/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N-ethyl-3,3,6-trimethyloctan-4-amine?
N-ethyl-3,3,6-trimethyloctan-4-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,6-trimethyloctan-4-amine is sourced from PubChem (CID 115846245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).