N-ethyl-2,3,6-trimethylnonan-4-amine

C14H31N — CID 115845744

IUPACN-ethyl-2,3,6-trimethylnonan-4-amine
SMILESCCCC(C)CC(NCC)C(C)C(C)C
InChIInChI=1S/C14H31N/c1-7-9-12(5)10-14(15-8-2)13(6)11(3)4/h11-15H,7-10H2,1-6H3
InChIKeyZAKWSDVYXSSUAC-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.08
Rot. Bonds8

About N-ethyl-2,3,6-trimethylnonan-4-amine

N-ethyl-2,3,6-trimethylnonan-4-amine (PubChem CID 115845744) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-ethyl-2,3,6-trimethylnonan-4-amine.

Molecular Properties

Compound NameN-ethyl-2,3,6-trimethylnonan-4-amine
PubChem CID115845744
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-ethyl-2,3,6-trimethylnonan-4-amine
SMILESCCCC(C)CC(NCC)C(C)C(C)C
InChIInChI=1S/C14H31N/c1-7-9-12(5)10-14(15-8-2)13(6)11(3)4/h11-15H,7-10H2,1-6H3
InChIKeyZAKWSDVYXSSUAC-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethoxy-N-ethyl-2,6-dimethylnonan-4-amine
CID 116721431
2,3,4,7-tetramethyl-5-propyldecane
CID 91020847
N-ethyl-2,3-dimethylundecan-4-amine
CID 115832523
N-ethyl-2,3-dimethyldecan-4-amine
CID 115833855
4-ethyl-2,3,5,7-tetramethyldecane
CID 123162737
N,5-diethyl-7-methylnonan-4-amine
CID 83051953
N-ethyl-2,2,3-trimethylheptan-4-amine
CID 83050802
N-ethyl-4-methylpentadecan-6-amine
CID 115845701
N-ethyl-2,3-dimethylnon-7-yn-4-amine
CID 105037627
(3R)-N-ethyl-2,5-dimethylhexan-3-amine
CID 59084835
3,5-dimethyl-N-propan-2-yloctan-1-amine
CID 81018582
N-ethyl-3,6-dimethyloctan-4-amine
CID 63717606

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3,6-trimethylnonan-4-amine?
The IUPAC name of N-ethyl-2,3,6-trimethylnonan-4-amine (CID 115845744) is N-ethyl-2,3,6-trimethylnonan-4-amine.
What is the SMILES notation for N-ethyl-2,3,6-trimethylnonan-4-amine?
The canonical SMILES for N-ethyl-2,3,6-trimethylnonan-4-amine is CCCC(C)CC(NCC)C(C)C(C)C.
What is the InChIKey of N-ethyl-2,3,6-trimethylnonan-4-amine?
The InChIKey is ZAKWSDVYXSSUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-7-9-12(5)10-14(15-8-2)13(6)11(3)4/h11-15H,7-10H2,1-6H3.
What are the key properties of N-ethyl-2,3,6-trimethylnonan-4-amine?
N-ethyl-2,3,6-trimethylnonan-4-amine has a molecular weight of 213.41 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3,6-trimethylnonan-4-amine is sourced from PubChem (CID 115845744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).