4-[ethyl-[(E)-pent-3-enyl]amino]-N'-methanimidamidopiperidine-1-carboximidamide

C14H28N6 — CID 176538011

IUPAC4-[ethyl-[(E)-pent-3-enyl]amino]-N'-methanimidamidopiperidine-1-carboximidamide
SMILES[H]/N=C/NN=C(N)N1CCC(N(CC)CC/C=C/C)CC1
InChIInChI=1S/C14H28N6/c1-3-5-6-9-19(4-2)13-7-10-20(11-8-13)14(16)18-17-12-15/h3,5,12-13H,4,6-11H2,1-2H3,(H2,15,17)(H2,16,18)/b5-3+
InChIKeySSCRINHBQJJXAH-HWKANZROSA-N
MW280.42 g/mol
LogP1.17
Rot. Bonds7

About 4-[ethyl-[(E)-pent-3-enyl]amino]-N'-methanimidamidopiperidine-1-carboximidamide

4-[ethyl-[(E)-pent-3-enyl]amino]-N'-methanimidamidopiperidine-1-carboximidamide (PubChem CID 176538011) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-[ethyl-[(E)-pent-3-enyl]amino]-N'-methanimidamidopiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-[ethyl-[(E)-pent-3-enyl]amino]-N'-methanimidamidopiperidine-1-carboximidamide
PubChem CID176538011
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name4-[ethyl-[(E)-pent-3-enyl]amino]-N'-methanimidamidopiperidine-1-carboximidamide
SMILES[H]/N=C/NN=C(N)N1CCC(N(CC)CC/C=C/C)CC1
InChIInChI=1S/C14H28N6/c1-3-5-6-9-19(4-2)13-7-10-20(11-8-13)14(16)18-17-12-15/h3,5,12-13H,4,6-11H2,1-2H3,(H2,15,17)(H2,16,18)/b5-3+
InChIKeySSCRINHBQJJXAH-HWKANZROSA-N
XLogP1.17
TPSA80.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide
CID 176546988
3-(diethylamino)pyrrolidine-1-carboximidamide
CID 63174989
3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide
CID 64750264
1-[4-(diethylamino)piperidin-1-yl]but-2-en-1-one
CID 78968289
3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 60952932
3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide
CID 64750263
2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol
CID 102676564
1-[4-[ethyl(2-hydroxyethyl)amino]piperidin-1-yl]ethanone
CID 66565461
N'-[2-[cyclopropyl(ethyl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956268
1-cyclopropyl-2-[2-[cyclopropyl(ethyl)amino]ethyl]guanidine
CID 103640269
3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
CID 79115702
2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 61264863

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[(E)-pent-3-enyl]amino]-N'-methanimidamidopiperidine-1-carboximidamide?
The IUPAC name of 4-[ethyl-[(E)-pent-3-enyl]amino]-N'-methanimidamidopiperidine-1-carboximidamide (CID 176538011) is 4-[ethyl-[(E)-pent-3-enyl]amino]-N'-methanimidamidopiperidine-1-carboximidamide.
What is the SMILES notation for 4-[ethyl-[(E)-pent-3-enyl]amino]-N'-methanimidamidopiperidine-1-carboximidamide?
The canonical SMILES for 4-[ethyl-[(E)-pent-3-enyl]amino]-N'-methanimidamidopiperidine-1-carboximidamide is [H]/N=C/NN=C(N)N1CCC(N(CC)CC/C=C/C)CC1.
What is the InChIKey of 4-[ethyl-[(E)-pent-3-enyl]amino]-N'-methanimidamidopiperidine-1-carboximidamide?
The InChIKey is SSCRINHBQJJXAH-HWKANZROSA-N. The full InChI is InChI=1S/C14H28N6/c1-3-5-6-9-19(4-2)13-7-10-20(11-8-13)14(16)18-17-12-15/h3,5,12-13H,4,6-11H2,1-2H3,(H2,15,17)(H2,16,18)/b5-3+.
What are the key properties of 4-[ethyl-[(E)-pent-3-enyl]amino]-N'-methanimidamidopiperidine-1-carboximidamide?
4-[ethyl-[(E)-pent-3-enyl]amino]-N'-methanimidamidopiperidine-1-carboximidamide has a molecular weight of 280.42 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[(E)-pent-3-enyl]amino]-N'-methanimidamidopiperidine-1-carboximidamide is sourced from PubChem (CID 176538011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).