N-[N-methanimidoyl-N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]-N-[(Z)-prop-1-enyl]methanimidamide

C10H17N5 — CID 146508170

IUPACN-[N-methanimidoyl-N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]-N-[(Z)-prop-1-enyl]methanimidamide
SMILES[H]/N=C/N(/C=C\C)C(=NC)N(/C=C\C)/C=N/[H]
InChIInChI=1S/C10H17N5/c1-4-6-14(8-11)10(13-3)15(9-12)7-5-2/h4-9,11-12H,1-3H3/b6-4-,7-5-,11-8+,12-9+
InChIKeyUERBTLMEPMRXFA-MQHORPBMSA-N
MW207.28 g/mol
LogP1.86
Rot. Bonds4

About N-[N-methanimidoyl-N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]-N-[(Z)-prop-1-enyl]methanimidamide

N-[N-methanimidoyl-N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]-N-[(Z)-prop-1-enyl]methanimidamide (PubChem CID 146508170) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[N-methanimidoyl-N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]-N-[(Z)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN-[N-methanimidoyl-N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]-N-[(Z)-prop-1-enyl]methanimidamide
PubChem CID146508170
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC NameN-[N-methanimidoyl-N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]-N-[(Z)-prop-1-enyl]methanimidamide
SMILES[H]/N=C/N(/C=C\C)C(=NC)N(/C=C\C)/C=N/[H]
InChIInChI=1S/C10H17N5/c1-4-6-14(8-11)10(13-3)15(9-12)7-5-2/h4-9,11-12H,1-3H3/b6-4-,7-5-,11-8+,12-9+
InChIKeyUERBTLMEPMRXFA-MQHORPBMSA-N
XLogP1.86
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 57033989
CID 57033989
CID 58030691
CID 58030691
CID 117849777
CID 117849777
CID 129196130
CID 129196130
CID 132192343
CID 132192343
CID 134277838
CID 134277838
CID 141286062
CID 141286062
CID 142029301
CID 142029301
CID 142552094
CID 142552094
CID 143379740
CID 143379740
CID 143399720
CID 143399720
CID 143497785
CID 143497785

Frequently Asked Questions

What is the IUPAC name of N-[N-methanimidoyl-N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]-N-[(Z)-prop-1-enyl]methanimidamide?
The IUPAC name of N-[N-methanimidoyl-N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]-N-[(Z)-prop-1-enyl]methanimidamide (CID 146508170) is N-[N-methanimidoyl-N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]-N-[(Z)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N-[N-methanimidoyl-N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]-N-[(Z)-prop-1-enyl]methanimidamide?
The canonical SMILES for N-[N-methanimidoyl-N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]-N-[(Z)-prop-1-enyl]methanimidamide is [H]/N=C/N(/C=C\C)C(=NC)N(/C=C\C)/C=N/[H].
What is the InChIKey of N-[N-methanimidoyl-N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]-N-[(Z)-prop-1-enyl]methanimidamide?
The InChIKey is UERBTLMEPMRXFA-MQHORPBMSA-N. The full InChI is InChI=1S/C10H17N5/c1-4-6-14(8-11)10(13-3)15(9-12)7-5-2/h4-9,11-12H,1-3H3/b6-4-,7-5-,11-8+,12-9+.
What are the key properties of N-[N-methanimidoyl-N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]-N-[(Z)-prop-1-enyl]methanimidamide?
N-[N-methanimidoyl-N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]-N-[(Z)-prop-1-enyl]methanimidamide has a molecular weight of 207.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-methanimidoyl-N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]-N-[(Z)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 146508170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).