N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide

C9H21N5 — CID 89383686

IUPACN'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide
SMILESC=C(CNCCNC/C(N)=N/C)NC
InChIInChI=1S/C9H21N5/c1-8(11-2)6-13-4-5-14-7-9(10)12-3/h11,13-14H,1,4-7H2,2-3H3,(H2,10,12)
InChIKeyNRTNYNBVUJEKIU-UHFFFAOYSA-N
MW199.30 g/mol
LogP-1.11
Rot. Bonds8

About N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide

N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide (PubChem CID 89383686) has the molecular formula C9H21N5 and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide
PubChem CID89383686
Molecular FormulaC9H21N5
Molecular Weight199.30 g/mol
Exact Mass199.18
IUPAC NameN'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide
SMILESC=C(CNCCNC/C(N)=N/C)NC
InChIInChI=1S/C9H21N5/c1-8(11-2)6-13-4-5-14-7-9(10)12-3/h11,13-14H,1,4-7H2,2-3H3,(H2,10,12)
InChIKeyNRTNYNBVUJEKIU-UHFFFAOYSA-N
XLogP-1.11
TPSA74.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-1.11
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-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide?
The IUPAC name of N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide (CID 89383686) is N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide.
What is the SMILES notation for N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide?
The canonical SMILES for N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide is C=C(CNCCNC/C(N)=N/C)NC.
What is the InChIKey of N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide?
The InChIKey is NRTNYNBVUJEKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5/c1-8(11-2)6-13-4-5-14-7-9(10)12-3/h11,13-14H,1,4-7H2,2-3H3,(H2,10,12).
What are the key properties of N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide?
N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide has a molecular weight of 199.30 g/mol, XLogP of -1.11, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide is sourced from PubChem (CID 89383686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).