(E)-N-(2-iminoethyl)pent-2-en-1-amine

C7H14N2 — CID 143175901

IUPAC(E)-N-(2-iminoethyl)pent-2-en-1-amine
SMILES[H]/N=C/CNC/C=C/CC
InChIInChI=1S/C7H14N2/c1-2-3-4-6-9-7-5-8/h3-5,8-9H,2,6-7H2,1H3/b4-3+,8-5+
InChIKeyJPBUWRKGAGTCFU-SALQQRKASA-N
MW126.20 g/mol
LogP1.19
Rot. Bonds5

About (E)-N-(2-iminoethyl)pent-2-en-1-amine

(E)-N-(2-iminoethyl)pent-2-en-1-amine (PubChem CID 143175901) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (E)-N-(2-iminoethyl)pent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-iminoethyl)pent-2-en-1-amine
PubChem CID143175901
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(E)-N-(2-iminoethyl)pent-2-en-1-amine
SMILES[H]/N=C/CNC/C=C/CC
InChIInChI=1S/C7H14N2/c1-2-3-4-6-9-7-5-8/h3-5,8-9H,2,6-7H2,1H3/b4-3+,8-5+
InChIKeyJPBUWRKGAGTCFU-SALQQRKASA-N
XLogP1.19
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethylpent-2-en-1-amine
CID 19883157
N-ethylpent-2-en-1-amine
CID 53679874
(E)-N-methylpent-2-ene-1,5-diamine
CID 58788119
N-methylpent-2-ene-1,5-diamine
CID 72424478
(Z)-N-ethylpent-2-en-1-amine
CID 117829232
(E,5Z)-5-hydrazinylidene-N-methylpent-3-en-1-amine
CID 118617253
5-Iminopent-2-en-1-amine
CID 123203625
N-(2-iminoethyl)prop-2-en-1-amine
CID 123595436
6-Methyliminohex-2-en-1-amine
CID 123732613
6-imino-N-methylhex-4-en-1-amine
CID 123776994
N-ethyl-5-(ethylideneamino)pent-3-en-2-amine
CID 138511224
(2Z,5E)-7-imino-N-propylhepta-2,5-dien-1-amine
CID 145490187

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-iminoethyl)pent-2-en-1-amine?
The IUPAC name of (E)-N-(2-iminoethyl)pent-2-en-1-amine (CID 143175901) is (E)-N-(2-iminoethyl)pent-2-en-1-amine.
What is the SMILES notation for (E)-N-(2-iminoethyl)pent-2-en-1-amine?
The canonical SMILES for (E)-N-(2-iminoethyl)pent-2-en-1-amine is [H]/N=C/CNC/C=C/CC.
What is the InChIKey of (E)-N-(2-iminoethyl)pent-2-en-1-amine?
The InChIKey is JPBUWRKGAGTCFU-SALQQRKASA-N. The full InChI is InChI=1S/C7H14N2/c1-2-3-4-6-9-7-5-8/h3-5,8-9H,2,6-7H2,1H3/b4-3+,8-5+.
What are the key properties of (E)-N-(2-iminoethyl)pent-2-en-1-amine?
(E)-N-(2-iminoethyl)pent-2-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-iminoethyl)pent-2-en-1-amine is sourced from PubChem (CID 143175901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).