(2S)-N-ethyl-2-methylhex-5-en-1-imine

C9H17N — CID 170738329

IUPAC(2S)-N-ethyl-2-methylhex-5-en-1-imine
SMILESC=CCC[C@H](C)/C=N/CC
InChIInChI=1S/C9H17N/c1-4-6-7-9(3)8-10-5-2/h4,8-9H,1,5-7H2,2-3H3/b10-8+/t9-/m0/s1
InChIKeyFTXZVGRTXNWZKY-WKMLFNHBSA-N
MW139.24 g/mol
LogP2.68
Rot. Bonds5

About (2S)-N-ethyl-2-methylhex-5-en-1-imine

(2S)-N-ethyl-2-methylhex-5-en-1-imine (PubChem CID 170738329) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2S)-N-ethyl-2-methylhex-5-en-1-imine.

Molecular Properties

Compound Name(2S)-N-ethyl-2-methylhex-5-en-1-imine
PubChem CID170738329
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2S)-N-ethyl-2-methylhex-5-en-1-imine
SMILESC=CCC[C@H](C)/C=N/CC
InChIInChI=1S/C9H17N/c1-4-6-7-9(3)8-10-5-2/h4,8-9H,1,5-7H2,2-3H3/b10-8+/t9-/m0/s1
InChIKeyFTXZVGRTXNWZKY-WKMLFNHBSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1E)-3,3-Dimethyl-N-(2-methylpropyl)pent-4-en-1-imine
CID 13119721
(1E)-N-(2-Methylpropyl)pent-4-en-1-imine
CID 13402840
Allyl-(2-methyl-pent-4-enylidene)-amine
CID 13443029
N-hept-1-enyl-2-methylpropan-1-imine
CID 53800476
3-Methyl-12-(3-penten-2-yl)-1-aza-1,5,9-cyclododecatriene
CID 54073519
2-methyl-N-(2-methylpent-1-enyl)pentan-1-imine
CID 54531657
N-pentylhex-5-en-1-imine
CID 57013677
N-pentylpent-4-en-1-imine
CID 57181324
3-methyl-4,5-dihydro-3H-azepine
CID 68099615
5-methyl-4,5-dihydro-3H-azepine
CID 68099639
(4E,8E)-11-methyl-2-pent-3-en-2-yl-1-azacyclododeca-4,8,12-triene
CID 70505819
(5E,9E)-3-butyl-1-azacyclododeca-1,5,9-triene
CID 70595591

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-methylhex-5-en-1-imine?
The IUPAC name of (2S)-N-ethyl-2-methylhex-5-en-1-imine (CID 170738329) is (2S)-N-ethyl-2-methylhex-5-en-1-imine.
What is the SMILES notation for (2S)-N-ethyl-2-methylhex-5-en-1-imine?
The canonical SMILES for (2S)-N-ethyl-2-methylhex-5-en-1-imine is C=CCC[C@H](C)/C=N/CC.
What is the InChIKey of (2S)-N-ethyl-2-methylhex-5-en-1-imine?
The InChIKey is FTXZVGRTXNWZKY-WKMLFNHBSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-7-9(3)8-10-5-2/h4,8-9H,1,5-7H2,2-3H3/b10-8+/t9-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-methylhex-5-en-1-imine?
(2S)-N-ethyl-2-methylhex-5-en-1-imine has a molecular weight of 139.24 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-methylhex-5-en-1-imine is sourced from PubChem (CID 170738329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).