N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine

C13H21N — CID 138528700

IUPACN-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine
SMILESC=C(C)/C(C(C)=C(C)C)=C(C)\N=C\C
InChIInChI=1S/C13H21N/c1-8-14-12(7)13(10(4)5)11(6)9(2)3/h8H,4H2,1-3,5-7H3/b13-12+,14-8+
InChIKeyCBEFGDAQHGXTJV-BPFWAFMNSA-N
MW191.32 g/mol
LogP4.28
Rot. Bonds3

About N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine

N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine (PubChem CID 138528700) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine
PubChem CID138528700
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine
SMILESC=C(C)/C(C(C)=C(C)C)=C(C)\N=C\C
InChIInChI=1S/C13H21N/c1-8-14-12(7)13(10(4)5)11(6)9(2)3/h8H,4H2,1-3,5-7H3/b13-12+,14-8+
InChIKeyCBEFGDAQHGXTJV-BPFWAFMNSA-N
XLogP4.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.28
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

N-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine
CID 155130289
2,4-dimethyl-3-prop-1-en-2-ylpenta-1,3-diene
CID 142833996
(3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 170590515
3-methyl-2-methylidene-N-prop-1-en-2-ylbut-3-en-1-imine
CID 143965709
(4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene
CID 145265652
N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine
CID 126593521
6,7,8-trimethyl-4-methylidene-5-prop-1-en-2-ylnona-1,5,7-triene
CID 123495231
N-[N-(ethylidenecarbamoyl)-C-methylcarbonimidoyl]-2-methylprop-2-enamide
CID 174499070
N-ethylidene-N'-prop-1-en-2-ylmethanimidamide
CID 130351047
3,4-dimethyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 144835890
3,4-dimethylpenta-2,4-dien-2-ylsilane
CID 154334462
N-ethylideneacetamide
CID 21338179

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine?
The IUPAC name of N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine (CID 138528700) is N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine?
The canonical SMILES for N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine is C=C(C)/C(C(C)=C(C)C)=C(C)\N=C\C.
What is the InChIKey of N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine?
The InChIKey is CBEFGDAQHGXTJV-BPFWAFMNSA-N. The full InChI is InChI=1S/C13H21N/c1-8-14-12(7)13(10(4)5)11(6)9(2)3/h8H,4H2,1-3,5-7H3/b13-12+,14-8+.
What are the key properties of N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine?
N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine has a molecular weight of 191.32 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine is sourced from PubChem (CID 138528700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).