N'-methyl-N-[(Z)-3-(methylamino)-1-[4-(methylamino)butylamino]prop-1-enyl]methanimidamide

C11H25N5 — CID 90453906

IUPACN'-methyl-N-[(Z)-3-(methylamino)-1-[4-(methylamino)butylamino]prop-1-enyl]methanimidamide
SMILESC/N=C/N/C(=C\CNC)NCCCCNC
InChIInChI=1S/C11H25N5/c1-12-7-4-5-8-15-11(6-9-13-2)16-10-14-3/h6,10,12-13,15H,4-5,7-9H2,1-3H3,(H,14,16)/b11-6-
InChIKeyWZHACMINSWNOJL-WDZFZDKYSA-N
MW227.36 g/mol
LogP-0.12
Rot. Bonds10

About N'-methyl-N-[(Z)-3-(methylamino)-1-[4-(methylamino)butylamino]prop-1-enyl]methanimidamide

N'-methyl-N-[(Z)-3-(methylamino)-1-[4-(methylamino)butylamino]prop-1-enyl]methanimidamide (PubChem CID 90453906) has the molecular formula C11H25N5 and a molecular weight of 227.36 g/mol. Its IUPAC name is N'-methyl-N-[(Z)-3-(methylamino)-1-[4-(methylamino)butylamino]prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(Z)-3-(methylamino)-1-[4-(methylamino)butylamino]prop-1-enyl]methanimidamide
PubChem CID90453906
Molecular FormulaC11H25N5
Molecular Weight227.36 g/mol
Exact Mass227.21
IUPAC NameN'-methyl-N-[(Z)-3-(methylamino)-1-[4-(methylamino)butylamino]prop-1-enyl]methanimidamide
SMILESC/N=C/N/C(=C\CNC)NCCCCNC
InChIInChI=1S/C11H25N5/c1-12-7-4-5-8-15-11(6-9-13-2)16-10-14-3/h6,10,12-13,15H,4-5,7-9H2,1-3H3,(H,14,16)/b11-6-
InChIKeyWZHACMINSWNOJL-WDZFZDKYSA-N
XLogP-0.12
TPSA60.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(Z)-3-(methylamino)-1-[4-(methylamino)butylamino]prop-1-enyl]methanimidamide?
The IUPAC name of N'-methyl-N-[(Z)-3-(methylamino)-1-[4-(methylamino)butylamino]prop-1-enyl]methanimidamide (CID 90453906) is N'-methyl-N-[(Z)-3-(methylamino)-1-[4-(methylamino)butylamino]prop-1-enyl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(Z)-3-(methylamino)-1-[4-(methylamino)butylamino]prop-1-enyl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(Z)-3-(methylamino)-1-[4-(methylamino)butylamino]prop-1-enyl]methanimidamide is C/N=C/N/C(=C\CNC)NCCCCNC.
What is the InChIKey of N'-methyl-N-[(Z)-3-(methylamino)-1-[4-(methylamino)butylamino]prop-1-enyl]methanimidamide?
The InChIKey is WZHACMINSWNOJL-WDZFZDKYSA-N. The full InChI is InChI=1S/C11H25N5/c1-12-7-4-5-8-15-11(6-9-13-2)16-10-14-3/h6,10,12-13,15H,4-5,7-9H2,1-3H3,(H,14,16)/b11-6-.
What are the key properties of N'-methyl-N-[(Z)-3-(methylamino)-1-[4-(methylamino)butylamino]prop-1-enyl]methanimidamide?
N'-methyl-N-[(Z)-3-(methylamino)-1-[4-(methylamino)butylamino]prop-1-enyl]methanimidamide has a molecular weight of 227.36 g/mol, XLogP of -0.12, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(Z)-3-(methylamino)-1-[4-(methylamino)butylamino]prop-1-enyl]methanimidamide is sourced from PubChem (CID 90453906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).