(E,2S)-2,6-dimethyloct-6-en-1-amine

C10H21N — CID 134214443

IUPAC(E,2S)-2,6-dimethyloct-6-en-1-amine
SMILESC/C=C(\C)CCC[C@H](C)CN
InChIInChI=1S/C10H21N/c1-4-9(2)6-5-7-10(3)8-11/h4,10H,5-8,11H2,1-3H3/b9-4+/t10-/m0/s1
InChIKeySMDYNJOEFUMBGZ-LLGDCAAFSA-N
MW155.28 g/mol
LogP2.72
Rot. Bonds5

About (E,2S)-2,6-dimethyloct-6-en-1-amine

(E,2S)-2,6-dimethyloct-6-en-1-amine (PubChem CID 134214443) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (E,2S)-2,6-dimethyloct-6-en-1-amine.

Molecular Properties

Compound Name(E,2S)-2,6-dimethyloct-6-en-1-amine
PubChem CID134214443
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(E,2S)-2,6-dimethyloct-6-en-1-amine
SMILESC/C=C(\C)CCC[C@H](C)CN
InChIInChI=1S/C10H21N/c1-4-9(2)6-5-7-10(3)8-11/h4,10H,5-8,11H2,1-3H3/b9-4+/t10-/m0/s1
InChIKeySMDYNJOEFUMBGZ-LLGDCAAFSA-N
XLogP2.72
TPSA26.02 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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-4-methylhex-4-en-1-amine
CID 55285525
(E)-7-methylnon-7-en-2-ol
CID 87112296
7-methylnon-7-en-2-ol
CID 123441222
3,7,8-trimethyloctadec-2-ene
CID 141187025
3,7,8-trimethylhenicos-2-ene
CID 141187022
3,5,9-trimethyldec-2-ene
CID 123396305
(2S)-2,6-dimethylheptan-1-amine
CID 13329794
8-amino-7-methyloctan-1-ol
CID 139899445
magnesium;3,7,11-trimethyldodeca-2,6-diene;dichloride
CID 174246815
2-methylpentane-1,5-diamine;pentane-1,5-diamine
CID 22378492
(2R)-2,6-dimethylhept-5-en-1-amine
CID 163211564
(2Z,4E)-5,9-dimethyldodeca-2,4-diene
CID 143714794

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2,6-dimethyloct-6-en-1-amine?
The IUPAC name of (E,2S)-2,6-dimethyloct-6-en-1-amine (CID 134214443) is (E,2S)-2,6-dimethyloct-6-en-1-amine.
What is the SMILES notation for (E,2S)-2,6-dimethyloct-6-en-1-amine?
The canonical SMILES for (E,2S)-2,6-dimethyloct-6-en-1-amine is C/C=C(\C)CCC[C@H](C)CN.
What is the InChIKey of (E,2S)-2,6-dimethyloct-6-en-1-amine?
The InChIKey is SMDYNJOEFUMBGZ-LLGDCAAFSA-N. The full InChI is InChI=1S/C10H21N/c1-4-9(2)6-5-7-10(3)8-11/h4,10H,5-8,11H2,1-3H3/b9-4+/t10-/m0/s1.
What are the key properties of (E,2S)-2,6-dimethyloct-6-en-1-amine?
(E,2S)-2,6-dimethyloct-6-en-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2,6-dimethyloct-6-en-1-amine is sourced from PubChem (CID 134214443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).