5-amino-4-(methylaminomethyl)-3,5-bis(methylimino)pentanamide

C9H19N5O — CID 123158487

IUPAC5-amino-4-(methylaminomethyl)-3,5-bis(methylimino)pentanamide
SMILESC/N=C(\N)C(CNC)/C(CC(N)=O)=N/C
InChIInChI=1S/C9H19N5O/c1-12-5-6(9(11)14-3)7(13-2)4-8(10)15/h6,12H,4-5H2,1-3H3,(H2,10,15)(H2,11,14)/b13-7+
InChIKeyNOUJVYDYMNASDM-NTUHNPAUSA-N
MW213.28 g/mol
LogP-1.24
Rot. Bonds6

About 5-amino-4-(methylaminomethyl)-3,5-bis(methylimino)pentanamide

5-amino-4-(methylaminomethyl)-3,5-bis(methylimino)pentanamide (PubChem CID 123158487) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-amino-4-(methylaminomethyl)-3,5-bis(methylimino)pentanamide.

Molecular Properties

Compound Name5-amino-4-(methylaminomethyl)-3,5-bis(methylimino)pentanamide
PubChem CID123158487
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC Name5-amino-4-(methylaminomethyl)-3,5-bis(methylimino)pentanamide
SMILESC/N=C(\N)C(CNC)/C(CC(N)=O)=N/C
InChIInChI=1S/C9H19N5O/c1-12-5-6(9(11)14-3)7(13-2)4-8(10)15/h6,12H,4-5H2,1-3H3,(H2,10,15)(H2,11,14)/b13-7+
InChIKeyNOUJVYDYMNASDM-NTUHNPAUSA-N
XLogP-1.24
TPSA105.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.24
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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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(methylaminomethyl)-3,5-bis(methylimino)pentanamide?
The IUPAC name of 5-amino-4-(methylaminomethyl)-3,5-bis(methylimino)pentanamide (CID 123158487) is 5-amino-4-(methylaminomethyl)-3,5-bis(methylimino)pentanamide.
What is the SMILES notation for 5-amino-4-(methylaminomethyl)-3,5-bis(methylimino)pentanamide?
The canonical SMILES for 5-amino-4-(methylaminomethyl)-3,5-bis(methylimino)pentanamide is C/N=C(\N)C(CNC)/C(CC(N)=O)=N/C.
What is the InChIKey of 5-amino-4-(methylaminomethyl)-3,5-bis(methylimino)pentanamide?
The InChIKey is NOUJVYDYMNASDM-NTUHNPAUSA-N. The full InChI is InChI=1S/C9H19N5O/c1-12-5-6(9(11)14-3)7(13-2)4-8(10)15/h6,12H,4-5H2,1-3H3,(H2,10,15)(H2,11,14)/b13-7+.
What are the key properties of 5-amino-4-(methylaminomethyl)-3,5-bis(methylimino)pentanamide?
5-amino-4-(methylaminomethyl)-3,5-bis(methylimino)pentanamide has a molecular weight of 213.28 g/mol, XLogP of -1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(methylaminomethyl)-3,5-bis(methylimino)pentanamide is sourced from PubChem (CID 123158487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).