N-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide

C8H17N5O — CID 114679013

IUPACN-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(O)C(C)C1
InChIInChI=1S/C8H17N5O/c1-5-4-13(3-2-6(5)14)8(11)12-7(9)10/h5-6,14H,2-4H2,1H3,(H5,9,10,11,12)
InChIKeyFNIGZVAAHFAYRO-UHFFFAOYSA-N
MW199.26 g/mol
LogP-1.10
Rot. Bonds

About N-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide

N-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide (PubChem CID 114679013) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is N-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide
PubChem CID114679013
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC NameN-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(O)C(C)C1
InChIInChI=1S/C8H17N5O/c1-5-4-13(3-2-6(5)14)8(11)12-7(9)10/h5-6,14H,2-4H2,1H3,(H5,9,10,11,12)
InChIKeyFNIGZVAAHFAYRO-UHFFFAOYSA-N
XLogP-1.10
TPSA111.72 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
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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Related Compounds

N-(diaminomethylidene)-4-methylazepane-1-carboximidamide
CID 83037348
N-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 83036980
3-(4-tert-butylphenyl)-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
CID 145413346
N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide
CID 102963277
N-(diaminomethylidene)-2,3-dimethylpyrrolidine-1-carboximidamide
CID 130993955
N-(diaminomethylidene)-4-ethoxypiperidine-1-carboximidamide
CID 83031921
N'-cyclopentyl-4-hydroxy-3-methylpiperidine-1-carboximidamide
CID 114679003
N-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide
CID 83034907
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019
4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide
CID 123226101
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
1-(4-hydroxy-3-methylpiperidin-1-yl)but-2-yn-1-one
CID 107989675

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide (CID 114679013) is N-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCC(O)C(C)C1.
What is the InChIKey of N-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide?
The InChIKey is FNIGZVAAHFAYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-5-4-13(3-2-6(5)14)8(11)12-7(9)10/h5-6,14H,2-4H2,1H3,(H5,9,10,11,12).
What are the key properties of N-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide?
N-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide has a molecular weight of 199.26 g/mol, XLogP of -1.10, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 114679013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).