N-ethyl-5-propylnonan-5-amine

C14H31N — CID 593700

IUPACN-ethyl-5-propylnonan-5-amine
SMILESCCCCC(CCC)(CCCC)NCC
InChIInChI=1S/C14H31N/c1-5-9-12-14(11-7-3,15-8-4)13-10-6-2/h15H,5-13H2,1-4H3
InChIKeyVJYWGXSSHKPYTJ-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.52
Rot. Bonds10

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

N-ethyl-5-propylnonan-5-amine (PubChem CID 593700) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-ethyl-5-propylnonan-5-amine.

Molecular Properties

Compound NameN-ethyl-5-propylnonan-5-amine
PubChem CID593700
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-ethyl-5-propylnonan-5-amine
SMILESCCCCC(CCC)(CCCC)NCC
InChIInChI=1S/C14H31N/c1-5-9-12-14(11-7-3,15-8-4)13-10-6-2/h15H,5-13H2,1-4H3
InChIKeyVJYWGXSSHKPYTJ-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-propylnonan-5-amine?
The IUPAC name of N-ethyl-5-propylnonan-5-amine (CID 593700) is N-ethyl-5-propylnonan-5-amine.
What is the SMILES notation for N-ethyl-5-propylnonan-5-amine?
The canonical SMILES for N-ethyl-5-propylnonan-5-amine is CCCCC(CCC)(CCCC)NCC.
What is the InChIKey of N-ethyl-5-propylnonan-5-amine?
The InChIKey is VJYWGXSSHKPYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-5-9-12-14(11-7-3,15-8-4)13-10-6-2/h15H,5-13H2,1-4H3.
What are the key properties of N-ethyl-5-propylnonan-5-amine?
N-ethyl-5-propylnonan-5-amine has a molecular weight of 213.41 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-propylnonan-5-amine is sourced from PubChem (CID 593700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).