(2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane

C14H37N5O2 — CID 159342046

IUPAC(2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane
SMILESC.C.C.CC(C)[C@@H](N)C=O.NC(N)=NCCC[C@@H](N)C=O
InChIInChI=1S/C6H14N4O.C5H11NO.3CH4/c7-5(4-11)2-1-3-10-6(8)9;1-4(2)5(6)3-7;;;/h4-5H,1-3,7H2,(H4,8,9,10);3-5H,6H2,1-2H3;3*1H4/t2*5-;;;/m10.../s1
InChIKeyLGGIZOLMMWRPRB-CPKKIPLVSA-N
MW307.48 g/mol
LogP0.64
Rot. Bonds7

About (2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane

(2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane (PubChem CID 159342046) has the molecular formula C14H37N5O2 and a molecular weight of 307.48 g/mol. Its IUPAC name is (2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane.

Molecular Properties

Compound Name(2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane
PubChem CID159342046
Molecular FormulaC14H37N5O2
Molecular Weight307.48 g/mol
Exact Mass307.29
IUPAC Name(2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane
SMILESC.C.C.CC(C)[C@@H](N)C=O.NC(N)=NCCC[C@@H](N)C=O
InChIInChI=1S/C6H14N4O.C5H11NO.3CH4/c7-5(4-11)2-1-3-10-6(8)9;1-4(2)5(6)3-7;;;/h4-5H,1-3,7H2,(H4,8,9,10);3-5H,6H2,1-2H3;3*1H4/t2*5-;;;/m10.../s1
InChIKeyLGGIZOLMMWRPRB-CPKKIPLVSA-N
XLogP0.64
TPSA150.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 50.64
H-Bond Donors ≤ 54
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'}

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Related Compounds

sodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride
CID 175474256
2-[(5S)-5-amino-6-oxohexyl]guanidine
CID 22853450
2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine
CID 141342026
2-[(4S)-4-amino-5-oxopentyl]guanidine;1-piperidin-1-ylpropan-2-one
CID 54479657
ethane;2-(4-methylpentyl)guanidine
CID 170602256
2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine
CID 118214123
(2R,3R)-2-amino-3-methylpentanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;(2R)-2,6-diaminohexanal;2-(methylamino)-3-[methyl-[2-(methylamino)ethyl]amino]propan-1-ol
CID 90887123
2-(4-amino-4-phosphorosobutyl)guanidine
CID 89493357
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
CID 175411630
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
CID 21226270
2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide
CID 174953444

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane?
The IUPAC name of (2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane (CID 159342046) is (2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane.
What is the SMILES notation for (2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane?
The canonical SMILES for (2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane is C.C.C.CC(C)[C@@H](N)C=O.NC(N)=NCCC[C@@H](N)C=O.
What is the InChIKey of (2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane?
The InChIKey is LGGIZOLMMWRPRB-CPKKIPLVSA-N. The full InChI is InChI=1S/C6H14N4O.C5H11NO.3CH4/c7-5(4-11)2-1-3-10-6(8)9;1-4(2)5(6)3-7;;;/h4-5H,1-3,7H2,(H4,8,9,10);3-5H,6H2,1-2H3;3*1H4/t2*5-;;;/m10.../s1.
What are the key properties of (2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane?
(2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane has a molecular weight of 307.48 g/mol, XLogP of 0.64, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane is sourced from PubChem (CID 159342046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).