(4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine

C14H31N — CID 118887657

IUPAC(4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine
SMILESCC[C@H](CCCN(C)C)CCC(C)(C)C
InChIInChI=1S/C14H31N/c1-7-13(9-8-12-15(5)6)10-11-14(2,3)4/h13H,7-12H2,1-6H3/t13-/m1/s1
InChIKeyOAAVVDIHOWIDKI-CYBMUJFWSA-N
MW213.41 g/mol
LogP4.18
Rot. Bonds7

About (4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine

(4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine (PubChem CID 118887657) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is (4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine.

Molecular Properties

Compound Name(4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine
PubChem CID118887657
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name(4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine
SMILESCC[C@H](CCCN(C)C)CCC(C)(C)C
InChIInChI=1S/C14H31N/c1-7-13(9-8-12-15(5)6)10-11-14(2,3)4/h13H,7-12H2,1-6H3/t13-/m1/s1
InChIKeyOAAVVDIHOWIDKI-CYBMUJFWSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine?
The IUPAC name of (4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine (CID 118887657) is (4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine.
What is the SMILES notation for (4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine?
The canonical SMILES for (4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine is CC[C@H](CCCN(C)C)CCC(C)(C)C.
What is the InChIKey of (4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine?
The InChIKey is OAAVVDIHOWIDKI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H31N/c1-7-13(9-8-12-15(5)6)10-11-14(2,3)4/h13H,7-12H2,1-6H3/t13-/m1/s1.
What are the key properties of (4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine?
(4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine is sourced from PubChem (CID 118887657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).