N'-(2-iminoethyl)-N-pent-3-enylmethanimidamide

C8H15N3 — CID 123617636

IUPACN'-(2-iminoethyl)-N-pent-3-enylmethanimidamide
SMILES[H]/N=C/C/N=C/NCCC=CC
InChIInChI=1S/C8H15N3/c1-2-3-4-6-10-8-11-7-5-9/h2-3,5,8-9H,4,6-7H2,1H3,(H,10,11)/b3-2?,9-5+
InChIKeyOZCXVMUKBPOFJT-ALYRZOPDSA-N
MW153.23 g/mol
LogP1.22
Rot. Bonds6

About N'-(2-iminoethyl)-N-pent-3-enylmethanimidamide

N'-(2-iminoethyl)-N-pent-3-enylmethanimidamide (PubChem CID 123617636) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N'-(2-iminoethyl)-N-pent-3-enylmethanimidamide.

Molecular Properties

Compound NameN'-(2-iminoethyl)-N-pent-3-enylmethanimidamide
PubChem CID123617636
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN'-(2-iminoethyl)-N-pent-3-enylmethanimidamide
SMILES[H]/N=C/C/N=C/NCCC=CC
InChIInChI=1S/C8H15N3/c1-2-3-4-6-10-8-11-7-5-9/h2-3,5,8-9H,4,6-7H2,1H3,(H,10,11)/b3-2?,9-5+
InChIKeyOZCXVMUKBPOFJT-ALYRZOPDSA-N
XLogP1.22
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.22
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-propyl-2,5-dihydropyridin-6-amine
CID 56630298
N'-methyl-N-pent-3-enylmethanimidamide
CID 123321967
N'-methyl-N-[(Z)-pent-3-enyl]methanimidamide
CID 146539364
N-(but-3-enyliminomethyl)propanimidamide
CID 176528744
2-methyl-1-[(E)-pent-3-enyl]guanidine
CID 115629301
1-[(E)-pent-3-enyl]-2-propylguanidine
CID 115679577
2-[(E)-but-2-enyl]-1,4,5,6-tetrahydropyrimidine
CID 143378164
(Z)-N'-methyl-N-propylpent-2-enimidamide
CID 143709707
(Z)-N'-methyl-N-propylhex-3-enimidamide
CID 144001001

Frequently Asked Questions

What is the IUPAC name of N'-(2-iminoethyl)-N-pent-3-enylmethanimidamide?
The IUPAC name of N'-(2-iminoethyl)-N-pent-3-enylmethanimidamide (CID 123617636) is N'-(2-iminoethyl)-N-pent-3-enylmethanimidamide.
What is the SMILES notation for N'-(2-iminoethyl)-N-pent-3-enylmethanimidamide?
The canonical SMILES for N'-(2-iminoethyl)-N-pent-3-enylmethanimidamide is [H]/N=C/C/N=C/NCCC=CC.
What is the InChIKey of N'-(2-iminoethyl)-N-pent-3-enylmethanimidamide?
The InChIKey is OZCXVMUKBPOFJT-ALYRZOPDSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-3-4-6-10-8-11-7-5-9/h2-3,5,8-9H,4,6-7H2,1H3,(H,10,11)/b3-2?,9-5+.
What are the key properties of N'-(2-iminoethyl)-N-pent-3-enylmethanimidamide?
N'-(2-iminoethyl)-N-pent-3-enylmethanimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-iminoethyl)-N-pent-3-enylmethanimidamide is sourced from PubChem (CID 123617636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).