(E,6S)-N,6-dimethyloct-2-en-3-amine

C10H21N — CID 89209438

IUPAC(E,6S)-N,6-dimethyloct-2-en-3-amine
SMILESC/C=C(\CC[C@@H](C)CC)NC
InChIInChI=1S/C10H21N/c1-5-9(3)7-8-10(6-2)11-4/h6,9,11H,5,7-8H2,1-4H3/b10-6+/t9-/m0/s1
InChIKeyQYVSXJPDFSABCG-CMWXKVOJSA-N
MW155.28 g/mol
LogP2.94
Rot. Bonds5

About (E,6S)-N,6-dimethyloct-2-en-3-amine

(E,6S)-N,6-dimethyloct-2-en-3-amine (PubChem CID 89209438) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (E,6S)-N,6-dimethyloct-2-en-3-amine.

Molecular Properties

Compound Name(E,6S)-N,6-dimethyloct-2-en-3-amine
PubChem CID89209438
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(E,6S)-N,6-dimethyloct-2-en-3-amine
SMILESC/C=C(\CC[C@@H](C)CC)NC
InChIInChI=1S/C10H21N/c1-5-9(3)7-8-10(6-2)11-4/h6,9,11H,5,7-8H2,1-4H3/b10-6+/t9-/m0/s1
InChIKeyQYVSXJPDFSABCG-CMWXKVOJSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E,6S)-N,6-dimethyloct-2-en-3-amine?
The IUPAC name of (E,6S)-N,6-dimethyloct-2-en-3-amine (CID 89209438) is (E,6S)-N,6-dimethyloct-2-en-3-amine.
What is the SMILES notation for (E,6S)-N,6-dimethyloct-2-en-3-amine?
The canonical SMILES for (E,6S)-N,6-dimethyloct-2-en-3-amine is C/C=C(\CC[C@@H](C)CC)NC.
What is the InChIKey of (E,6S)-N,6-dimethyloct-2-en-3-amine?
The InChIKey is QYVSXJPDFSABCG-CMWXKVOJSA-N. The full InChI is InChI=1S/C10H21N/c1-5-9(3)7-8-10(6-2)11-4/h6,9,11H,5,7-8H2,1-4H3/b10-6+/t9-/m0/s1.
What are the key properties of (E,6S)-N,6-dimethyloct-2-en-3-amine?
(E,6S)-N,6-dimethyloct-2-en-3-amine has a molecular weight of 155.28 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6S)-N,6-dimethyloct-2-en-3-amine is sourced from PubChem (CID 89209438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).