N'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide

C14H26N6 — CID 119147378

IUPACN'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2cnc(N(C)C)n2C)C1
InChIInChI=1S/C14H26N6/c1-11-6-5-7-20(10-11)13(15)16-8-12-9-17-14(18(2)3)19(12)4/h9,11H,5-8,10H2,1-4H3,(H2,15,16)
InChIKeySKHFDTDGWGMMCB-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.03
Rot. Bonds3

About N'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide

N'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 119147378) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is N'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID119147378
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC NameN'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2cnc(N(C)C)n2C)C1
InChIInChI=1S/C14H26N6/c1-11-6-5-7-20(10-11)13(15)16-8-12-9-17-14(18(2)3)19(12)4/h9,11H,5-8,10H2,1-4H3,(H2,15,16)
InChIKeySKHFDTDGWGMMCB-UHFFFAOYSA-N
XLogP1.03
TPSA62.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.03
H-Bond Donors ≤ 51
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

3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111081464
1-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide
CID 119147417
1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide
CID 119147427
N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 120580585
3-methyl-N'-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-1-carboximidamide
CID 122097455
N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 122098058
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111822317
3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide
CID 111806202
N'-[(2,5-dimethylfuran-3-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111813204
N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111087503
3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide
CID 111049058

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide (CID 119147378) is N'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/Cc2cnc(N(C)C)n2C)C1.
What is the InChIKey of N'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is SKHFDTDGWGMMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-11-6-5-7-20(10-11)13(15)16-8-12-9-17-14(18(2)3)19(12)4/h9,11H,5-8,10H2,1-4H3,(H2,15,16).
What are the key properties of N'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide?
N'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 278.40 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 119147378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).