N-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen

C7H17N5 — CID 170740622

IUPACN-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen
SMILES[H]/N=C(\N(C)/C=N/[H])N1CCNCC1.[H][H]
InChIInChI=1S/C7H15N5.H2/c1-11(6-8)7(9)12-4-2-10-3-5-12;/h6,8-10H,2-5H2,1H3;1H/b8-6+,9-7+;
InChIKeyDWPUIIJOWILOTN-SLGVWIAZSA-N
MW171.25 g/mol
LogP-0.39
Rot. Bonds1

About N-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen

N-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen (PubChem CID 170740622) has the molecular formula C7H17N5 and a molecular weight of 171.25 g/mol. Its IUPAC name is N-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen.

Molecular Properties

Compound NameN-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen
PubChem CID170740622
Molecular FormulaC7H17N5
Molecular Weight171.25 g/mol
Exact Mass171.15
IUPAC NameN-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen
SMILES[H]/N=C(\N(C)/C=N/[H])N1CCNCC1.[H][H]
InChIInChI=1S/C7H15N5.H2/c1-11(6-8)7(9)12-4-2-10-3-5-12;/h6,8-10H,2-5H2,1H3;1H/b8-6+,9-7+;
InChIKeyDWPUIIJOWILOTN-SLGVWIAZSA-N
XLogP-0.39
TPSA66.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
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

N-methyl-N-(methylamino)piperazine-1-carboximidamide
CID 57371017
(E)-3-piperazin-1-ylbut-2-en-1-imine
CID 142245533
(Z)-1-piperazin-1-ylhex-2-en-1-imine
CID 176921342
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
N,N-diethylpiperazine-1-carbothioamide
CID 82282428
(E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;ethane
CID 166128167
N,N-diethylpiperazine-1-carboxamide;molecular hydrogen;hydrochloride
CID 43842039
2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 172785490
tert-butyl formate;piperazine-1-carboximidamide;hydrochloride
CID 174785913
N-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 16791160
N-piperazin-1-yloxyethanimine
CID 175552933
(2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine
CID 139338168

Frequently Asked Questions

What is the IUPAC name of N-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen?
The IUPAC name of N-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen (CID 170740622) is N-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen.
What is the SMILES notation for N-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen?
The canonical SMILES for N-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen is [H]/N=C(\N(C)/C=N/[H])N1CCNCC1.[H][H].
What is the InChIKey of N-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen?
The InChIKey is DWPUIIJOWILOTN-SLGVWIAZSA-N. The full InChI is InChI=1S/C7H15N5.H2/c1-11(6-8)7(9)12-4-2-10-3-5-12;/h6,8-10H,2-5H2,1H3;1H/b8-6+,9-7+;.
What are the key properties of N-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen?
N-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen has a molecular weight of 171.25 g/mol, XLogP of -0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen is sourced from PubChem (CID 170740622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).