N-[(E)-3-amino-2-methyl-1-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]-N'-methylmethanimidamide

C10H23N5 — CID 90453984

IUPACN-[(E)-3-amino-2-methyl-1-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]-N'-methylmethanimidamide
SMILESC/N=C/N/C(=C(/C)CN)N(C)CCNC
InChIInChI=1S/C10H23N5/c1-9(7-11)10(14-8-13-3)15(4)6-5-12-2/h8,12H,5-7,11H2,1-4H3,(H,13,14)/b10-9+
InChIKeyIOBPXDJOOZIHFI-MDZDMXLPSA-N
MW213.33 g/mol
LogP-0.42
Rot. Bonds7

About N-[(E)-3-amino-2-methyl-1-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]-N'-methylmethanimidamide

N-[(E)-3-amino-2-methyl-1-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]-N'-methylmethanimidamide (PubChem CID 90453984) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is N-[(E)-3-amino-2-methyl-1-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(E)-3-amino-2-methyl-1-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]-N'-methylmethanimidamide
PubChem CID90453984
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC NameN-[(E)-3-amino-2-methyl-1-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]-N'-methylmethanimidamide
SMILESC/N=C/N/C(=C(/C)CN)N(C)CCNC
InChIInChI=1S/C10H23N5/c1-9(7-11)10(14-8-13-3)15(4)6-5-12-2/h8,12H,5-7,11H2,1-4H3,(H,13,14)/b10-9+
InChIKeyIOBPXDJOOZIHFI-MDZDMXLPSA-N
XLogP-0.42
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

6-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethyl-1,4-dihydropyrimidine-4,6-diamine
CID 90453346
Ethane;9-methyl-3,6,7,8-tetrahydropurin-6-amine
CID 141790516
1-[2-(Diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111022727

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-amino-2-methyl-1-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]-N'-methylmethanimidamide?
The IUPAC name of N-[(E)-3-amino-2-methyl-1-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]-N'-methylmethanimidamide (CID 90453984) is N-[(E)-3-amino-2-methyl-1-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(E)-3-amino-2-methyl-1-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(E)-3-amino-2-methyl-1-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]-N'-methylmethanimidamide is C/N=C/N/C(=C(/C)CN)N(C)CCNC.
What is the InChIKey of N-[(E)-3-amino-2-methyl-1-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]-N'-methylmethanimidamide?
The InChIKey is IOBPXDJOOZIHFI-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H23N5/c1-9(7-11)10(14-8-13-3)15(4)6-5-12-2/h8,12H,5-7,11H2,1-4H3,(H,13,14)/b10-9+.
What are the key properties of N-[(E)-3-amino-2-methyl-1-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]-N'-methylmethanimidamide?
N-[(E)-3-amino-2-methyl-1-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]-N'-methylmethanimidamide has a molecular weight of 213.33 g/mol, XLogP of -0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-amino-2-methyl-1-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]-N'-methylmethanimidamide is sourced from PubChem (CID 90453984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).