N-(N,N-dimethylcarbamimidoyl)-N,4-dimethylpiperidine-1-carboximidamide

C11H23N5 — CID 72700671

IUPACN-(N,N-dimethylcarbamimidoyl)-N,4-dimethylpiperidine-1-carboximidamide
SMILES[H]/N=C(/N1CCC(C)CC1)N(C)/C(=N/[H])N(C)C
InChIInChI=1S/C11H23N5/c1-9-5-7-16(8-6-9)11(13)15(4)10(12)14(2)3/h9,12-13H,5-8H2,1-4H3/b12-10+,13-11+
InChIKeyJWOALDVWYHYPDQ-DCIPZJNNSA-N
MW225.34 g/mol
LogP1.08
Rot. Bonds

About N-(N,N-dimethylcarbamimidoyl)-N,4-dimethylpiperidine-1-carboximidamide

N-(N,N-dimethylcarbamimidoyl)-N,4-dimethylpiperidine-1-carboximidamide (PubChem CID 72700671) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(N,N-dimethylcarbamimidoyl)-N,4-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(N,N-dimethylcarbamimidoyl)-N,4-dimethylpiperidine-1-carboximidamide
PubChem CID72700671
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC NameN-(N,N-dimethylcarbamimidoyl)-N,4-dimethylpiperidine-1-carboximidamide
SMILES[H]/N=C(/N1CCC(C)CC1)N(C)/C(=N/[H])N(C)C
InChIInChI=1S/C11H23N5/c1-9-5-7-16(8-6-9)11(13)15(4)10(12)14(2)3/h9,12-13H,5-8H2,1-4H3/b12-10+,13-11+
InChIKeyJWOALDVWYHYPDQ-DCIPZJNNSA-N
XLogP1.08
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-(N,N-dimethylcarbamimidoyl)-N,4-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-(N,N-dimethylcarbamimidoyl)-N,4-dimethylpiperidine-1-carboximidamide (CID 72700671) is N-(N,N-dimethylcarbamimidoyl)-N,4-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-(N,N-dimethylcarbamimidoyl)-N,4-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-(N,N-dimethylcarbamimidoyl)-N,4-dimethylpiperidine-1-carboximidamide is [H]/N=C(/N1CCC(C)CC1)N(C)/C(=N/[H])N(C)C.
What is the InChIKey of N-(N,N-dimethylcarbamimidoyl)-N,4-dimethylpiperidine-1-carboximidamide?
The InChIKey is JWOALDVWYHYPDQ-DCIPZJNNSA-N. The full InChI is InChI=1S/C11H23N5/c1-9-5-7-16(8-6-9)11(13)15(4)10(12)14(2)3/h9,12-13H,5-8H2,1-4H3/b12-10+,13-11+.
What are the key properties of N-(N,N-dimethylcarbamimidoyl)-N,4-dimethylpiperidine-1-carboximidamide?
N-(N,N-dimethylcarbamimidoyl)-N,4-dimethylpiperidine-1-carboximidamide has a molecular weight of 225.34 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N,N-dimethylcarbamimidoyl)-N,4-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 72700671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).