(Z,2S)-4-ethyl-3-methyliminohex-4-en-2-amine

C9H18N2 — CID 166949543

IUPAC(Z,2S)-4-ethyl-3-methyliminohex-4-en-2-amine
SMILESC/C=C(CC)\C(=N\C)[C@H](C)N
InChIInChI=1S/C9H18N2/c1-5-8(6-2)9(11-4)7(3)10/h5,7H,6,10H2,1-4H3/b8-5-,11-9+/t7-/m0/s1
InChIKeyUCSUSXIUPXDFPH-XVHICNLISA-N
MW154.26 g/mol
LogP1.76
Rot. Bonds3

About (Z,2S)-4-ethyl-3-methyliminohex-4-en-2-amine

(Z,2S)-4-ethyl-3-methyliminohex-4-en-2-amine (PubChem CID 166949543) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z,2S)-4-ethyl-3-methyliminohex-4-en-2-amine.

Molecular Properties

Compound Name(Z,2S)-4-ethyl-3-methyliminohex-4-en-2-amine
PubChem CID166949543
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z,2S)-4-ethyl-3-methyliminohex-4-en-2-amine
SMILESC/C=C(CC)\C(=N\C)[C@H](C)N
InChIInChI=1S/C9H18N2/c1-5-8(6-2)9(11-4)7(3)10/h5,7H,6,10H2,1-4H3/b8-5-,11-9+/t7-/m0/s1
InChIKeyUCSUSXIUPXDFPH-XVHICNLISA-N
XLogP1.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-ethylpent-3-en-2-amine
CID 154025587
(E)-4-ethyl-2,3-bis(methylimino)hex-4-enal
CID 166707318
3-ethyl-6-methylhept-2-en-4-one
CID 103447291
(E)-N,2-dimethyl-6-methylidene-4-propyloct-4-en-3-imine
CID 134380298
propan-2-amine;propane;propan-2-ol
CID 161404449
(3E)-3-ethylhexa-3,5-dien-2-amine
CID 149492466
ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol
CID 143085238
3-ethylpent-3-en-2-one
CID 54009630
ethanol;heptane;propan-2-amine
CID 87057720
2-aminopentan-3-one
CID 10986165
2,4-dimethyl-3-methyliminopent-1-en-1-amine
CID 174306198
3-aminooctan-2-ol
CID 14271184

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-4-ethyl-3-methyliminohex-4-en-2-amine?
The IUPAC name of (Z,2S)-4-ethyl-3-methyliminohex-4-en-2-amine (CID 166949543) is (Z,2S)-4-ethyl-3-methyliminohex-4-en-2-amine.
What is the SMILES notation for (Z,2S)-4-ethyl-3-methyliminohex-4-en-2-amine?
The canonical SMILES for (Z,2S)-4-ethyl-3-methyliminohex-4-en-2-amine is C/C=C(CC)\C(=N\C)[C@H](C)N.
What is the InChIKey of (Z,2S)-4-ethyl-3-methyliminohex-4-en-2-amine?
The InChIKey is UCSUSXIUPXDFPH-XVHICNLISA-N. The full InChI is InChI=1S/C9H18N2/c1-5-8(6-2)9(11-4)7(3)10/h5,7H,6,10H2,1-4H3/b8-5-,11-9+/t7-/m0/s1.
What are the key properties of (Z,2S)-4-ethyl-3-methyliminohex-4-en-2-amine?
(Z,2S)-4-ethyl-3-methyliminohex-4-en-2-amine has a molecular weight of 154.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-4-ethyl-3-methyliminohex-4-en-2-amine is sourced from PubChem (CID 166949543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).