5-ethyl-N-propylnonan-1-amine

C14H31N — CID 64504205

IUPAC5-ethyl-N-propylnonan-1-amine
SMILESCCCCC(CC)CCCCNCCC
InChIInChI=1S/C14H31N/c1-4-7-10-14(6-3)11-8-9-13-15-12-5-2/h14-15H,4-13H2,1-3H3
InChIKeyPXASCJCDMDCHOZ-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.37
Rot. Bonds11

About 5-ethyl-N-propylnonan-1-amine

5-ethyl-N-propylnonan-1-amine (PubChem CID 64504205) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 5-ethyl-N-propylnonan-1-amine.

Molecular Properties

Compound Name5-ethyl-N-propylnonan-1-amine
PubChem CID64504205
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name5-ethyl-N-propylnonan-1-amine
SMILESCCCCC(CC)CCCCNCCC
InChIInChI=1S/C14H31N/c1-4-7-10-14(6-3)11-8-9-13-15-12-5-2/h14-15H,4-13H2,1-3H3
InChIKeyPXASCJCDMDCHOZ-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-pentylhexan-1-amine
CID 43081963
5-methyl-N-propylnonan-1-amine
CID 123719528
3-ethyl-N'-octylhexane-1,6-diamine
CID 113337396
N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine
CID 59929730
7-methyl-N-propyltridecan-1-amine
CID 123278261
1-N-propylnonane-1,8-diamine
CID 87246434
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
N-propylhexadecan-1-amine
CID 18792182
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-propylnonan-1-amine?
The IUPAC name of 5-ethyl-N-propylnonan-1-amine (CID 64504205) is 5-ethyl-N-propylnonan-1-amine.
What is the SMILES notation for 5-ethyl-N-propylnonan-1-amine?
The canonical SMILES for 5-ethyl-N-propylnonan-1-amine is CCCCC(CC)CCCCNCCC.
What is the InChIKey of 5-ethyl-N-propylnonan-1-amine?
The InChIKey is PXASCJCDMDCHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-4-7-10-14(6-3)11-8-9-13-15-12-5-2/h14-15H,4-13H2,1-3H3.
What are the key properties of 5-ethyl-N-propylnonan-1-amine?
5-ethyl-N-propylnonan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.37, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-propylnonan-1-amine is sourced from PubChem (CID 64504205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).