N,5-diethylnonan-4-amine

C13H29N — CID 83051951

IUPACN,5-diethylnonan-4-amine
SMILESCCCCC(CC)C(CCC)NCC
InChIInChI=1S/C13H29N/c1-5-9-11-12(7-3)13(10-6-2)14-8-4/h12-14H,5-11H2,1-4H3
InChIKeyRAQSCBNOLYAPQH-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds9

About N,5-diethylnonan-4-amine

N,5-diethylnonan-4-amine (PubChem CID 83051951) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,5-diethylnonan-4-amine.

Molecular Properties

Compound NameN,5-diethylnonan-4-amine
PubChem CID83051951
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,5-diethylnonan-4-amine
SMILESCCCCC(CC)C(CCC)NCC
InChIInChI=1S/C13H29N/c1-5-9-11-12(7-3)13(10-6-2)14-8-4/h12-14H,5-11H2,1-4H3
InChIKeyRAQSCBNOLYAPQH-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,5-diethylpentadecan-6-amine
CID 115831438
1-cyclopentyl-N,4-diethyloctan-3-amine
CID 114193299
(4S)-N-ethyl-5-methylnonan-4-amine
CID 138564824
N,5-diethyl-7-methylnonan-4-amine
CID 83051953
1-cyclobutyl-N,3-diethylheptan-2-amine
CID 115863541
5-ethyl-N-propyltetradecan-6-amine
CID 115835262
4,5-diethylnonane
CID 21188862
1-ethoxy-N,5-diethylheptan-4-amine
CID 105168474
N,4-diethyloct-1-yn-3-amine
CID 104995536
N,4-diethyloct-1-en-3-amine
CID 105000765
(4S)-4-ethyl-N-pentylnonan-3-amine
CID 89384517
3-ethyl-1-methoxy-N-propylheptan-2-amine
CID 105008758

Frequently Asked Questions

What is the IUPAC name of N,5-diethylnonan-4-amine?
The IUPAC name of N,5-diethylnonan-4-amine (CID 83051951) is N,5-diethylnonan-4-amine.
What is the SMILES notation for N,5-diethylnonan-4-amine?
The canonical SMILES for N,5-diethylnonan-4-amine is CCCCC(CC)C(CCC)NCC.
What is the InChIKey of N,5-diethylnonan-4-amine?
The InChIKey is RAQSCBNOLYAPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-5-9-11-12(7-3)13(10-6-2)14-8-4/h12-14H,5-11H2,1-4H3.
What are the key properties of N,5-diethylnonan-4-amine?
N,5-diethylnonan-4-amine has a molecular weight of 199.38 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethylnonan-4-amine is sourced from PubChem (CID 83051951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).