N-ethyl-4-propyloctan-4-amine

C13H29N — CID 593646

IUPACN-ethyl-4-propyloctan-4-amine
SMILESCCCCC(CCC)(CCC)NCC
InChIInChI=1S/C13H29N/c1-5-9-12-13(10-6-2,11-7-3)14-8-4/h14H,5-12H2,1-4H3
InChIKeyOEYCKOPGWLCXSJ-UHFFFAOYSA-N
MW199.38 g/mol
LogP4.13
Rot. Bonds9

About N-ethyl-4-propyloctan-4-amine

N-ethyl-4-propyloctan-4-amine (PubChem CID 593646) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-ethyl-4-propyloctan-4-amine.

Molecular Properties

Compound NameN-ethyl-4-propyloctan-4-amine
PubChem CID593646
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-ethyl-4-propyloctan-4-amine
SMILESCCCCC(CCC)(CCC)NCC
InChIInChI=1S/C13H29N/c1-5-9-12-13(10-6-2,11-7-3)14-8-4/h14H,5-12H2,1-4H3
InChIKeyOEYCKOPGWLCXSJ-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-propylnonan-5-ylamino)methanol
CID 90399487
phosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine
CID 87917867
5-(dibutylamino)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809152
N-ethyl-2-methyloctan-2-amine
CID 123477104
N-ethyl-7-methyltetradecan-7-amine
CID 593697
4-propyl-N-prop-2-ynylheptan-4-amine;hydrochloride
CID 3049079
3-propyl-3-(propylamino)hexan-1-ol
CID 65234503
ethyl 6-(4-propylheptadecan-4-ylamino)hexanoate
CID 20571646
N-chloro-9-octylheptadecan-9-amine
CID 54006457
2-ethyl-2-(ethylamino)-5-[ethyl(propyl)amino]pentan-1-ol
CID 106809218
2,4,4-trimethyl-N-propyloctan-2-amine
CID 166814463
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-propyloctan-4-amine?
The IUPAC name of N-ethyl-4-propyloctan-4-amine (CID 593646) is N-ethyl-4-propyloctan-4-amine.
What is the SMILES notation for N-ethyl-4-propyloctan-4-amine?
The canonical SMILES for N-ethyl-4-propyloctan-4-amine is CCCCC(CCC)(CCC)NCC.
What is the InChIKey of N-ethyl-4-propyloctan-4-amine?
The InChIKey is OEYCKOPGWLCXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-5-9-12-13(10-6-2,11-7-3)14-8-4/h14H,5-12H2,1-4H3.
What are the key properties of N-ethyl-4-propyloctan-4-amine?
N-ethyl-4-propyloctan-4-amine has a molecular weight of 199.38 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-propyloctan-4-amine is sourced from PubChem (CID 593646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).