N-[(E)-pent-2-en-2-yl]propan-1-imine

C8H15N — CID 147192367

IUPACN-[(E)-pent-2-en-2-yl]propan-1-imine
SMILESCC/C=N/C(C)=C/CC
InChIInChI=1S/C8H15N/c1-4-6-8(3)9-7-5-2/h6-7H,4-5H2,1-3H3/b8-6+,9-7+
InChIKeyCBROXAGOAGSGAD-CDJQDVQCSA-N
MW125.21 g/mol
LogP2.78
Rot. Bonds3

About N-[(E)-pent-2-en-2-yl]propan-1-imine

N-[(E)-pent-2-en-2-yl]propan-1-imine (PubChem CID 147192367) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-[(E)-pent-2-en-2-yl]propan-1-imine.

Molecular Properties

Compound NameN-[(E)-pent-2-en-2-yl]propan-1-imine
PubChem CID147192367
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-[(E)-pent-2-en-2-yl]propan-1-imine
SMILESCC/C=N/C(C)=C/CC
InChIInChI=1S/C8H15N/c1-4-6-8(3)9-7-5-2/h6-7H,4-5H2,1-3H3/b8-6+,9-7+
InChIKeyCBROXAGOAGSGAD-CDJQDVQCSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-5-methylhex-2-en-2-yl]propan-1-imine
CID 135192518
(Z)-2-(propylideneamino)prop-1-ene-1-thiol
CID 170975270
ethane;N-[(Z)-pent-2-en-2-yl]ethanimine
CID 142915693
(Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid
CID 118281600
N-[(E)-pent-2-en-2-yl]methanimine
CID 154559491
1,3-di(propylidene)guanidine
CID 174857851
N'-[(E)-pent-2-en-2-yl]ethanimidamide
CID 123500479
(E)-2-(1,1-difluoroethyl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine
CID 171492754
(Z)-N,N-dimethyl-3-(propylideneamino)but-2-en-2-amine
CID 122697757
N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine
CID 145087914
N'-(methylamino)-N-propylideneethanimidamide
CID 166794692
(1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine
CID 143838514

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-2-en-2-yl]propan-1-imine?
The IUPAC name of N-[(E)-pent-2-en-2-yl]propan-1-imine (CID 147192367) is N-[(E)-pent-2-en-2-yl]propan-1-imine.
What is the SMILES notation for N-[(E)-pent-2-en-2-yl]propan-1-imine?
The canonical SMILES for N-[(E)-pent-2-en-2-yl]propan-1-imine is CC/C=N/C(C)=C/CC.
What is the InChIKey of N-[(E)-pent-2-en-2-yl]propan-1-imine?
The InChIKey is CBROXAGOAGSGAD-CDJQDVQCSA-N. The full InChI is InChI=1S/C8H15N/c1-4-6-8(3)9-7-5-2/h6-7H,4-5H2,1-3H3/b8-6+,9-7+.
What are the key properties of N-[(E)-pent-2-en-2-yl]propan-1-imine?
N-[(E)-pent-2-en-2-yl]propan-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-2-en-2-yl]propan-1-imine is sourced from PubChem (CID 147192367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).