N-amino-3,4-dimethyl-N'-propan-2-ylpiperazine-1-carboximidamide

C10H23N5 — CID 104886420

IUPACN-amino-3,4-dimethyl-N'-propan-2-ylpiperazine-1-carboximidamide
SMILESCC(C)/N=C(\NN)N1CCN(C)C(C)C1
InChIInChI=1S/C10H23N5/c1-8(2)12-10(13-11)15-6-5-14(4)9(3)7-15/h8-9H,5-7,11H2,1-4H3,(H,12,13)
InChIKeyOCNQALYAVYVNSK-UHFFFAOYSA-N
MW213.33 g/mol
LogP-0.15
Rot. Bonds1

About N-amino-3,4-dimethyl-N'-propan-2-ylpiperazine-1-carboximidamide

N-amino-3,4-dimethyl-N'-propan-2-ylpiperazine-1-carboximidamide (PubChem CID 104886420) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is N-amino-3,4-dimethyl-N'-propan-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3,4-dimethyl-N'-propan-2-ylpiperazine-1-carboximidamide
PubChem CID104886420
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC NameN-amino-3,4-dimethyl-N'-propan-2-ylpiperazine-1-carboximidamide
SMILESCC(C)/N=C(\NN)N1CCN(C)C(C)C1
InChIInChI=1S/C10H23N5/c1-8(2)12-10(13-11)15-6-5-14(4)9(3)7-15/h8-9H,5-7,11H2,1-4H3,(H,12,13)
InChIKeyOCNQALYAVYVNSK-UHFFFAOYSA-N
XLogP-0.15
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-amino-4-ethyl-3-methyl-N'-propan-2-ylpiperazine-1-carboximidamide
CID 104886027
N-amino-3,5-dimethyl-N'-propan-2-ylpiperidine-1-carboximidamide
CID 104883211
N-amino-3,4-dimethyl-N'-propan-2-ylpiperidine-1-carboximidamide
CID 104888958
N-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide
CID 104883166
(2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
CID 63634392
N-amino-2,5-dimethyl-N'-propan-2-ylpiperidine-1-carboximidamide
CID 104887160
N-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide
CID 104886119
3,4-dimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 63605677
3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 63609743
3,4-dimethyl-N-(2-methylpropyl)piperazine-1-carbothioamide
CID 116508593
N-amino-N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 104884122
3-(3,4-dimethylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 77000498

Frequently Asked Questions

What is the IUPAC name of N-amino-3,4-dimethyl-N'-propan-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N-amino-3,4-dimethyl-N'-propan-2-ylpiperazine-1-carboximidamide (CID 104886420) is N-amino-3,4-dimethyl-N'-propan-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-3,4-dimethyl-N'-propan-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N-amino-3,4-dimethyl-N'-propan-2-ylpiperazine-1-carboximidamide is CC(C)/N=C(\NN)N1CCN(C)C(C)C1.
What is the InChIKey of N-amino-3,4-dimethyl-N'-propan-2-ylpiperazine-1-carboximidamide?
The InChIKey is OCNQALYAVYVNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5/c1-8(2)12-10(13-11)15-6-5-14(4)9(3)7-15/h8-9H,5-7,11H2,1-4H3,(H,12,13).
What are the key properties of N-amino-3,4-dimethyl-N'-propan-2-ylpiperazine-1-carboximidamide?
N-amino-3,4-dimethyl-N'-propan-2-ylpiperazine-1-carboximidamide has a molecular weight of 213.33 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3,4-dimethyl-N'-propan-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 104886420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).