N-ethyl-2,7,7-trimethyloctan-4-amine

C13H29N — CID 62601319

IUPACN-ethyl-2,7,7-trimethyloctan-4-amine
SMILESCCNC(CCC(C)(C)C)CC(C)C
InChIInChI=1S/C13H29N/c1-7-14-12(10-11(2)3)8-9-13(4,5)6/h11-12,14H,7-10H2,1-6H3
InChIKeyNIZPUTSTUQYJLM-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds6

About N-ethyl-2,7,7-trimethyloctan-4-amine

N-ethyl-2,7,7-trimethyloctan-4-amine (PubChem CID 62601319) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-ethyl-2,7,7-trimethyloctan-4-amine.

Molecular Properties

Compound NameN-ethyl-2,7,7-trimethyloctan-4-amine
PubChem CID62601319
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-ethyl-2,7,7-trimethyloctan-4-amine
SMILESCCNC(CCC(C)(C)C)CC(C)C
InChIInChI=1S/C13H29N/c1-7-14-12(10-11(2)3)8-9-13(4,5)6/h11-12,14H,7-10H2,1-6H3
InChIKeyNIZPUTSTUQYJLM-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine
CID 79954629
N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine
CID 103025252
2,2,8,8-tetramethyl-N-propylnonan-5-amine
CID 173351827
N-ethyl-2-methyldodecan-4-amine
CID 63412709
N,3-diethyl-6,6-dimethylheptan-2-amine
CID 61481134
N-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine
CID 105140017
1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine
CID 79086942
1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine
CID 66055914
5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine
CID 63496033
N-ethyl-7,7-dimethyloctan-2-amine
CID 64504249
1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 114224973
5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine
CID 65131446

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,7,7-trimethyloctan-4-amine?
The IUPAC name of N-ethyl-2,7,7-trimethyloctan-4-amine (CID 62601319) is N-ethyl-2,7,7-trimethyloctan-4-amine.
What is the SMILES notation for N-ethyl-2,7,7-trimethyloctan-4-amine?
The canonical SMILES for N-ethyl-2,7,7-trimethyloctan-4-amine is CCNC(CCC(C)(C)C)CC(C)C.
What is the InChIKey of N-ethyl-2,7,7-trimethyloctan-4-amine?
The InChIKey is NIZPUTSTUQYJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-14-12(10-11(2)3)8-9-13(4,5)6/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N-ethyl-2,7,7-trimethyloctan-4-amine?
N-ethyl-2,7,7-trimethyloctan-4-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,7,7-trimethyloctan-4-amine is sourced from PubChem (CID 62601319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).