2-[[(2S)-6-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]guanidine

C8H20N8O — CID 173129987

IUPAC2-[[(2S)-6-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]guanidine
SMILESNC(N)=NN[C@H](C=O)CCCC(N)N=C(N)N
InChIInChI=1S/C8H20N8O/c9-6(14-7(10)11)3-1-2-5(4-17)15-16-8(12)13/h4-6,15H,1-3,9H2,(H4,10,11,14)(H4,12,13,16)/t5-,6?/m0/s1
InChIKeyDJDHMWWHWCGYIY-ZBHICJROSA-N
MW244.30 g/mol
LogP-2.94
Rot. Bonds8

About 2-[[(2S)-6-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]guanidine

2-[[(2S)-6-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]guanidine (PubChem CID 173129987) has the molecular formula C8H20N8O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[[(2S)-6-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]guanidine.

Molecular Properties

Compound Name2-[[(2S)-6-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]guanidine
PubChem CID173129987
Molecular FormulaC8H20N8O
Molecular Weight244.30 g/mol
Exact Mass244.18
IUPAC Name2-[[(2S)-6-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]guanidine
SMILESNC(N)=NN[C@H](C=O)CCCC(N)N=C(N)N
InChIInChI=1S/C8H20N8O/c9-6(14-7(10)11)3-1-2-5(4-17)15-16-8(12)13/h4-6,15H,1-3,9H2,(H4,10,11,14)(H4,12,13,16)/t5-,6?/m0/s1
InChIKeyDJDHMWWHWCGYIY-ZBHICJROSA-N
XLogP-2.94
TPSA183.92 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.30
LogP ≤ 5-2.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

(2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 20610969
2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 18755169
2-[(5S)-5-amino-6-oxohexyl]guanidine
CID 22853450
2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine
CID 118214123
N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2,2-dimethylpropanamide
CID 89004311
(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 173062657
2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 88888692
N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylprop-2-enamide
CID 173435673
(2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid
CID 54407523
2-[(3S)-3-hydroxy-4-oxobutyl]guanidine
CID 167028797
(2R)-2-acetamido-5-(diaminomethylideneamino)-N-[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 173209218
sodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride
CID 175474256

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-6-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]guanidine?
The IUPAC name of 2-[[(2S)-6-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]guanidine (CID 173129987) is 2-[[(2S)-6-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]guanidine.
What is the SMILES notation for 2-[[(2S)-6-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]guanidine?
The canonical SMILES for 2-[[(2S)-6-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]guanidine is NC(N)=NN[C@H](C=O)CCCC(N)N=C(N)N.
What is the InChIKey of 2-[[(2S)-6-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]guanidine?
The InChIKey is DJDHMWWHWCGYIY-ZBHICJROSA-N. The full InChI is InChI=1S/C8H20N8O/c9-6(14-7(10)11)3-1-2-5(4-17)15-16-8(12)13/h4-6,15H,1-3,9H2,(H4,10,11,14)(H4,12,13,16)/t5-,6?/m0/s1.
What are the key properties of 2-[[(2S)-6-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]guanidine?
2-[[(2S)-6-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]guanidine has a molecular weight of 244.30 g/mol, XLogP of -2.94, 8 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-6-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]guanidine is sourced from PubChem (CID 173129987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).