1-N',5-N'-diaminopentanediimidamide

C5H14N6 — CID 4639692

IUPAC1-N',5-N'-diaminopentanediimidamide
SMILESNN=C(N)CCCC(N)=NN
InChIInChI=1S/C5H14N6/c6-4(10-8)2-1-3-5(7)11-9/h1-3,8-9H2,(H2,6,10)(H2,7,11)
InChIKeyZQSNQFZEHUOCPW-UHFFFAOYSA-N
MW158.21 g/mol
LogP-1.38
Rot. Bonds4

About 1-N',5-N'-diaminopentanediimidamide

1-N',5-N'-diaminopentanediimidamide (PubChem CID 4639692) has the molecular formula C5H14N6 and a molecular weight of 158.21 g/mol. Its IUPAC name is 1-N',5-N'-diaminopentanediimidamide.

Molecular Properties

Compound Name1-N',5-N'-diaminopentanediimidamide
PubChem CID4639692
Molecular FormulaC5H14N6
Molecular Weight158.21 g/mol
Exact Mass158.13
IUPAC Name1-N',5-N'-diaminopentanediimidamide
SMILESNN=C(N)CCCC(N)=NN
InChIInChI=1S/C5H14N6/c6-4(10-8)2-1-3-5(7)11-9/h1-3,8-9H2,(H2,6,10)(H2,7,11)
InChIKeyZQSNQFZEHUOCPW-UHFFFAOYSA-N
XLogP-1.38
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 5-1.38
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

1-N',10-N'-diaminodecanediimidamide
CID 6003047
N'-aminononanimidamide
CID 4100069
5-amino-5-hydroxyiminopentanamide
CID 57368861
N'-amino-3,3-dimethylbutanimidamide
CID 61362370
(5Z)-5-hydrazinyl-5-hydrazinylidenepentanamide
CID 130354637
1-N',14-N'-diethyltetradecanediimidamide
CID 45484696
17-amino-17-hydrazinylidene-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]heptadecanamide
CID 123710561
4-ethylsulfonyl-N'-hydroxybutanimidamide
CID 77055434
decan-5-ylidenehydrazine
CID 86114328
1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide
CID 141081453
nonan-4-ylidenehydrazine
CID 140571520
4-(dimethylamino)-N'-hydroxybutanimidamide
CID 74314081

Frequently Asked Questions

What is the IUPAC name of 1-N',5-N'-diaminopentanediimidamide?
The IUPAC name of 1-N',5-N'-diaminopentanediimidamide (CID 4639692) is 1-N',5-N'-diaminopentanediimidamide.
What is the SMILES notation for 1-N',5-N'-diaminopentanediimidamide?
The canonical SMILES for 1-N',5-N'-diaminopentanediimidamide is NN=C(N)CCCC(N)=NN.
What is the InChIKey of 1-N',5-N'-diaminopentanediimidamide?
The InChIKey is ZQSNQFZEHUOCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N6/c6-4(10-8)2-1-3-5(7)11-9/h1-3,8-9H2,(H2,6,10)(H2,7,11).
What are the key properties of 1-N',5-N'-diaminopentanediimidamide?
1-N',5-N'-diaminopentanediimidamide has a molecular weight of 158.21 g/mol, XLogP of -1.38, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',5-N'-diaminopentanediimidamide is sourced from PubChem (CID 4639692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).