(5S)-N,2,3,3,4,5,6,6-octamethyloctan-2-amine

C16H35N — CID 146900012

IUPAC(5S)-N,2,3,3,4,5,6,6-octamethyloctan-2-amine
SMILESCCC(C)(C)[C@@H](C)C(C)C(C)(C)C(C)(C)NC
InChIInChI=1S/C16H35N/c1-11-14(4,5)12(2)13(3)15(6,7)16(8,9)17-10/h12-13,17H,11H2,1-10H3/t12-,13?/m0/s1
InChIKeyPRIWAONXVPYOKY-UEWDXFNNSA-N
MW241.46 g/mol
LogP4.72
Rot. Bonds6

About (5S)-N,2,3,3,4,5,6,6-octamethyloctan-2-amine

(5S)-N,2,3,3,4,5,6,6-octamethyloctan-2-amine (PubChem CID 146900012) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is (5S)-N,2,3,3,4,5,6,6-octamethyloctan-2-amine.

Molecular Properties

Compound Name(5S)-N,2,3,3,4,5,6,6-octamethyloctan-2-amine
PubChem CID146900012
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name(5S)-N,2,3,3,4,5,6,6-octamethyloctan-2-amine
SMILESCCC(C)(C)[C@@H](C)C(C)C(C)(C)C(C)(C)NC
InChIInChI=1S/C16H35N/c1-11-14(4,5)12(2)13(3)15(6,7)16(8,9)17-10/h12-13,17H,11H2,1-10H3/t12-,13?/m0/s1
InChIKeyPRIWAONXVPYOKY-UEWDXFNNSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-N,2,3,3,4,5,6,6-octamethyloctan-2-amine?
The IUPAC name of (5S)-N,2,3,3,4,5,6,6-octamethyloctan-2-amine (CID 146900012) is (5S)-N,2,3,3,4,5,6,6-octamethyloctan-2-amine.
What is the SMILES notation for (5S)-N,2,3,3,4,5,6,6-octamethyloctan-2-amine?
The canonical SMILES for (5S)-N,2,3,3,4,5,6,6-octamethyloctan-2-amine is CCC(C)(C)[C@@H](C)C(C)C(C)(C)C(C)(C)NC.
What is the InChIKey of (5S)-N,2,3,3,4,5,6,6-octamethyloctan-2-amine?
The InChIKey is PRIWAONXVPYOKY-UEWDXFNNSA-N. The full InChI is InChI=1S/C16H35N/c1-11-14(4,5)12(2)13(3)15(6,7)16(8,9)17-10/h12-13,17H,11H2,1-10H3/t12-,13?/m0/s1.
What are the key properties of (5S)-N,2,3,3,4,5,6,6-octamethyloctan-2-amine?
(5S)-N,2,3,3,4,5,6,6-octamethyloctan-2-amine has a molecular weight of 241.46 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N,2,3,3,4,5,6,6-octamethyloctan-2-amine is sourced from PubChem (CID 146900012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).