2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-piperidin-3-ylamino]guanidine

C12H26N8O — CID 141018487

IUPAC2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-piperidin-3-ylamino]guanidine
SMILESNC(N)=NCCC[C@@H](C=O)N(N=C(N)N)C1CCCNC1
InChIInChI=1S/C12H26N8O/c13-11(14)18-6-2-4-10(8-21)20(19-12(15)16)9-3-1-5-17-7-9/h8-10,17H,1-7H2,(H4,13,14,18)(H4,15,16,19)/t9?,10-/m0/s1
InChIKeyGRNYQAQCTJRXKC-AXDSSHIGSA-N
MW298.40 g/mol
LogP-2.15
Rot. Bonds8

About 2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-piperidin-3-ylamino]guanidine

2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-piperidin-3-ylamino]guanidine (PubChem CID 141018487) has the molecular formula C12H26N8O and a molecular weight of 298.40 g/mol. Its IUPAC name is 2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-piperidin-3-ylamino]guanidine.

Molecular Properties

Compound Name2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-piperidin-3-ylamino]guanidine
PubChem CID141018487
Molecular FormulaC12H26N8O
Molecular Weight298.40 g/mol
Exact Mass298.22
IUPAC Name2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-piperidin-3-ylamino]guanidine
SMILESNC(N)=NCCC[C@@H](C=O)N(N=C(N)N)C1CCCNC1
InChIInChI=1S/C12H26N8O/c13-11(14)18-6-2-4-10(8-21)20(19-12(15)16)9-3-1-5-17-7-9/h8-10,17H,1-7H2,(H4,13,14,18)(H4,15,16,19)/t9?,10-/m0/s1
InChIKeyGRNYQAQCTJRXKC-AXDSSHIGSA-N
XLogP-2.15
TPSA161.14 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 5-2.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

(2S)-2-[(diaminomethylideneamino)-piperidin-3-ylamino]propanoic acid
CID 21158722
(2S)-N-cyclohexyl-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2S)-2-(methylamino)propanoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 22854955
(2S)-N-[2-benzyl-3-(methylamino)propanoyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 22858507
2-[acetyl(piperidin-3-yl)amino]acetamide
CID 60802262
N-amino-N-piperidin-3-ylformamide;dihydrochloride
CID 174773724
methyl N-(2-amino-2-oxoethyl)-N-piperidin-3-ylcarbamate
CID 60801559
bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-pyrrolidine-2-carboxylic acid
CID 118395312
N-(2-amino-2-oxoethyl)-N-piperidin-3-yl-2-propylpentanamide
CID 82985484
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]-piperidin-3-ylamino]acetamide
CID 112602463
2-[(2-methoxyacetyl)-piperidin-3-ylamino]acetamide
CID 61277569
N-(2-amino-2-oxoethyl)-N-piperidin-3-ylcyclopentanecarboxamide
CID 60801225
(2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-2-carboxamide
CID 15408076

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-piperidin-3-ylamino]guanidine?
The IUPAC name of 2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-piperidin-3-ylamino]guanidine (CID 141018487) is 2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-piperidin-3-ylamino]guanidine.
What is the SMILES notation for 2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-piperidin-3-ylamino]guanidine?
The canonical SMILES for 2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-piperidin-3-ylamino]guanidine is NC(N)=NCCC[C@@H](C=O)N(N=C(N)N)C1CCCNC1.
What is the InChIKey of 2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-piperidin-3-ylamino]guanidine?
The InChIKey is GRNYQAQCTJRXKC-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H26N8O/c13-11(14)18-6-2-4-10(8-21)20(19-12(15)16)9-3-1-5-17-7-9/h8-10,17H,1-7H2,(H4,13,14,18)(H4,15,16,19)/t9?,10-/m0/s1.
What are the key properties of 2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-piperidin-3-ylamino]guanidine?
2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-piperidin-3-ylamino]guanidine has a molecular weight of 298.40 g/mol, XLogP of -2.15, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-piperidin-3-ylamino]guanidine is sourced from PubChem (CID 141018487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).