N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine

C9H15N — CID 130323388

IUPACN-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine
SMILESC=C/C=C(\CC)[C@@H](C)N=C
InChIInChI=1S/C9H15N/c1-5-7-9(6-2)8(3)10-4/h5,7-8H,1,4,6H2,2-3H3/b9-7+/t8-/m1/s1
InChIKeyCRUUXEJAVOCASL-KGOFQHAKSA-N
MW137.23 g/mol
LogP2.60
Rot. Bonds4

About N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine

N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine (PubChem CID 130323388) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine
PubChem CID130323388
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine
SMILESC=C/C=C(\CC)[C@@H](C)N=C
InChIInChI=1S/C9H15N/c1-5-7-9(6-2)8(3)10-4/h5,7-8H,1,4,6H2,2-3H3/b9-7+/t8-/m1/s1
InChIKeyCRUUXEJAVOCASL-KGOFQHAKSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384
(3E)-3-ethylhexa-3,5-dien-2-amine
CID 149492466
N-hexa-3,5-dien-3-ylmethanimine
CID 123675398
ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine
CID 143109979
ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene
CID 142269776
N-[(E)-3-methylhex-3-en-2-yl]methanimine
CID 143536776
(3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine
CID 137427614
2-prop-2-enylidenebutane-1,3-diol
CID 175263998
N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
CID 171626628
(3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene
CID 144667400
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine?
The IUPAC name of N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine (CID 130323388) is N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine?
The canonical SMILES for N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine is C=C/C=C(\CC)[C@@H](C)N=C.
What is the InChIKey of N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine?
The InChIKey is CRUUXEJAVOCASL-KGOFQHAKSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7-9(6-2)8(3)10-4/h5,7-8H,1,4,6H2,2-3H3/b9-7+/t8-/m1/s1.
What are the key properties of N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine?
N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine has a molecular weight of 137.23 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine is sourced from PubChem (CID 130323388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).