N,N'-diamino-2-piperidin-4-ylethanimidamide

C7H17N5 — CID 142954054

IUPACN,N'-diamino-2-piperidin-4-ylethanimidamide
SMILESN/N=C(/CC1CCNCC1)NN
InChIInChI=1S/C7H17N5/c8-11-7(12-9)5-6-1-3-10-4-2-6/h6,10H,1-5,8-9H2,(H,11,12)
InChIKeyCJOZWTZPCWHNJV-UHFFFAOYSA-N
MW171.25 g/mol
LogP-0.89
Rot. Bonds2

About N,N'-diamino-2-piperidin-4-ylethanimidamide

N,N'-diamino-2-piperidin-4-ylethanimidamide (PubChem CID 142954054) has the molecular formula C7H17N5 and a molecular weight of 171.25 g/mol. Its IUPAC name is N,N'-diamino-2-piperidin-4-ylethanimidamide.

Molecular Properties

Compound NameN,N'-diamino-2-piperidin-4-ylethanimidamide
PubChem CID142954054
Molecular FormulaC7H17N5
Molecular Weight171.25 g/mol
Exact Mass171.15
IUPAC NameN,N'-diamino-2-piperidin-4-ylethanimidamide
SMILESN/N=C(/CC1CCNCC1)NN
InChIInChI=1S/C7H17N5/c8-11-7(12-9)5-6-1-3-10-4-2-6/h6,10H,1-5,8-9H2,(H,11,12)
InChIKeyCJOZWTZPCWHNJV-UHFFFAOYSA-N
XLogP-0.89
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.25
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Related Compounds

N,N'-diamino-2-(1-methylpiperidin-4-yl)ethanimidamide
CID 135220152
N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide
CID 63462480
N-(chloromethyl)-1-piperidin-4-ylmethanamine
CID 134365297
N-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 117266307
4-(piperidin-4-ylmethyl)piperidine
CID 14123199
N-methylsulfanyl-2-piperidin-4-ylacetamide
CID 145013243
2-piperidin-4-yl-N-propylsulfonylacetamide
CID 103307321
ethyl 3-(piperidin-4-ylmethylamino)propanoate
CID 79707943
4-[(sulfamoylamino)methyl]piperidine
CID 24703134
2-(piperidin-4-ylmethylamino)acetic acid
CID 67168932
N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 83962890
1-piperidin-4-ylbut-3-en-2-one
CID 116559893

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-2-piperidin-4-ylethanimidamide?
The IUPAC name of N,N'-diamino-2-piperidin-4-ylethanimidamide (CID 142954054) is N,N'-diamino-2-piperidin-4-ylethanimidamide.
What is the SMILES notation for N,N'-diamino-2-piperidin-4-ylethanimidamide?
The canonical SMILES for N,N'-diamino-2-piperidin-4-ylethanimidamide is N/N=C(/CC1CCNCC1)NN.
What is the InChIKey of N,N'-diamino-2-piperidin-4-ylethanimidamide?
The InChIKey is CJOZWTZPCWHNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5/c8-11-7(12-9)5-6-1-3-10-4-2-6/h6,10H,1-5,8-9H2,(H,11,12).
What are the key properties of N,N'-diamino-2-piperidin-4-ylethanimidamide?
N,N'-diamino-2-piperidin-4-ylethanimidamide has a molecular weight of 171.25 g/mol, XLogP of -0.89, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-2-piperidin-4-ylethanimidamide is sourced from PubChem (CID 142954054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).