(E)-N-tert-butyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine

C12H21N — CID 153465549

IUPAC(E)-N-tert-butyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine
SMILESC/C=C\C(\C=N\C(C)(C)C)=C/CC
InChIInChI=1S/C12H21N/c1-6-8-11(9-7-2)10-13-12(3,4)5/h6,8-10H,7H2,1-5H3/b8-6-,11-9+,13-10+
InChIKeyPRMBFRFXKNRQGS-FWPMMNHLSA-N
MW179.31 g/mol
LogP3.77
Rot. Bonds3

About (E)-N-tert-butyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine

(E)-N-tert-butyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine (PubChem CID 153465549) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (E)-N-tert-butyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-tert-butyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine
PubChem CID153465549
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(E)-N-tert-butyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine
SMILESC/C=C\C(\C=N\C(C)(C)C)=C/CC
InChIInChI=1S/C12H21N/c1-6-8-11(9-7-2)10-13-12(3,4)5/h6,8-10H,7H2,1-5H3/b8-6-,11-9+,13-10+
InChIKeyPRMBFRFXKNRQGS-FWPMMNHLSA-N
XLogP3.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.77
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-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
CID 174262416
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
bis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+))
CID 13005103
2-methyl-2-pentenal N-allylimine
CID 129747538
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine
CID 135053282
lithium N-tert-butyl-1-[3-(tert-butyliminomethyl)benzene-2-id-1-yl]methanimine
CID 138967381
(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 143621189
1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine
CID 143995117
(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine
CID 10464698
N-tert-butylpent-3-en-1-imine
CID 57114189
1-phenyl-N-propylmethanimine;yttrium
CID 58003847

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine?
The IUPAC name of (E)-N-tert-butyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine (CID 153465549) is (E)-N-tert-butyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine.
What is the SMILES notation for (E)-N-tert-butyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine?
The canonical SMILES for (E)-N-tert-butyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine is C/C=C\C(\C=N\C(C)(C)C)=C/CC.
What is the InChIKey of (E)-N-tert-butyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine?
The InChIKey is PRMBFRFXKNRQGS-FWPMMNHLSA-N. The full InChI is InChI=1S/C12H21N/c1-6-8-11(9-7-2)10-13-12(3,4)5/h6,8-10H,7H2,1-5H3/b8-6-,11-9+,13-10+.
What are the key properties of (E)-N-tert-butyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine?
(E)-N-tert-butyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine is sourced from PubChem (CID 153465549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).