6-ethyl-2,2-dimethyl-N-propyloctan-4-amine

C15H33N — CID 82923150

IUPAC6-ethyl-2,2-dimethyl-N-propyloctan-4-amine
SMILESCCCNC(CC(CC)CC)CC(C)(C)C
InChIInChI=1S/C15H33N/c1-7-10-16-14(12-15(4,5)6)11-13(8-2)9-3/h13-14,16H,7-12H2,1-6H3
InChIKeyFVNSREODQISEKF-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.62
Rot. Bonds8

About 6-ethyl-2,2-dimethyl-N-propyloctan-4-amine

6-ethyl-2,2-dimethyl-N-propyloctan-4-amine (PubChem CID 82923150) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 6-ethyl-2,2-dimethyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name6-ethyl-2,2-dimethyl-N-propyloctan-4-amine
PubChem CID82923150
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name6-ethyl-2,2-dimethyl-N-propyloctan-4-amine
SMILESCCCNC(CC(CC)CC)CC(C)(C)C
InChIInChI=1S/C15H33N/c1-7-10-16-14(12-15(4,5)6)11-13(8-2)9-3/h13-14,16H,7-12H2,1-6H3
InChIKeyFVNSREODQISEKF-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,2-dimethyl-N-propyloctan-4-amine?
The IUPAC name of 6-ethyl-2,2-dimethyl-N-propyloctan-4-amine (CID 82923150) is 6-ethyl-2,2-dimethyl-N-propyloctan-4-amine.
What is the SMILES notation for 6-ethyl-2,2-dimethyl-N-propyloctan-4-amine?
The canonical SMILES for 6-ethyl-2,2-dimethyl-N-propyloctan-4-amine is CCCNC(CC(CC)CC)CC(C)(C)C.
What is the InChIKey of 6-ethyl-2,2-dimethyl-N-propyloctan-4-amine?
The InChIKey is FVNSREODQISEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-7-10-16-14(12-15(4,5)6)11-13(8-2)9-3/h13-14,16H,7-12H2,1-6H3.
What are the key properties of 6-ethyl-2,2-dimethyl-N-propyloctan-4-amine?
6-ethyl-2,2-dimethyl-N-propyloctan-4-amine has a molecular weight of 227.44 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,2-dimethyl-N-propyloctan-4-amine is sourced from PubChem (CID 82923150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).