5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine

C16H36N2 — CID 113291360

IUPAC5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine
SMILESCCCCC(CC)CC(CCN(C)C)NCCC
InChIInChI=1S/C16H36N2/c1-6-9-10-15(8-3)14-16(17-12-7-2)11-13-18(4)5/h15-17H,6-14H2,1-5H3
InChIKeyZLHQAEGDRDEYTE-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.91
Rot. Bonds12

About 5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine

5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine (PubChem CID 113291360) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine.

Molecular Properties

Compound Name5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine
PubChem CID113291360
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine
SMILESCCCCC(CC)CC(CCN(C)C)NCCC
InChIInChI=1S/C16H36N2/c1-6-9-10-15(8-3)14-16(17-12-7-2)11-13-18(4)5/h15-17H,6-14H2,1-5H3
InChIKeyZLHQAEGDRDEYTE-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-1,1,1-trifluoro-N-propyldecan-4-amine
CID 79964664
4-ethyl-1-(2-methylpropylsulfanyl)-N-propyloctan-2-amine
CID 65135765
N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine
CID 63946060
4-ethyl-2-hydrazinyl-N,N-dimethyloctan-1-amine
CID 105244694
N,5-diethylpentadecan-7-amine
CID 115806799
1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine
CID 115346716
20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride
CID 172995497
4-ethyl-2-(ethylamino)octan-1-ol
CID 174812518
1-cyclopropyl-3-ethyl-N-propylheptan-1-amine
CID 63413488
4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291352
3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine
CID 115346552
1-N-butyl-3-N-[2-[3-(dimethylamino)propyl-methylamino]ethyl]-1-N-methylpentane-1,3-diamine
CID 134400911

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine?
The IUPAC name of 5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine (CID 113291360) is 5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine.
What is the SMILES notation for 5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine?
The canonical SMILES for 5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine is CCCCC(CC)CC(CCN(C)C)NCCC.
What is the InChIKey of 5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine?
The InChIKey is ZLHQAEGDRDEYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-6-9-10-15(8-3)14-16(17-12-7-2)11-13-18(4)5/h15-17H,6-14H2,1-5H3.
What are the key properties of 5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine?
5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.91, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine is sourced from PubChem (CID 113291360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).