1-(diaminomethylidene)-2-[(2S)-4-methyl-3-oxo-2-(propan-2-ylamino)pentyl]guanidine

C11H24N6O — CID 58787799

IUPAC1-(diaminomethylidene)-2-[(2S)-4-methyl-3-oxo-2-(propan-2-ylamino)pentyl]guanidine
SMILESCC(C)N[C@@H](C/N=C(\N)N=C(N)N)C(=O)C(C)C
InChIInChI=1S/C11H24N6O/c1-6(2)9(18)8(16-7(3)4)5-15-11(14)17-10(12)13/h6-8,16H,5H2,1-4H3,(H6,12,13,14,15,17)/t8-/m0/s1
InChIKeyOUCVEGOZOKOFQA-QMMMGPOBSA-N
MW256.35 g/mol
LogP-0.83
Rot. Bonds6

About 1-(diaminomethylidene)-2-[(2S)-4-methyl-3-oxo-2-(propan-2-ylamino)pentyl]guanidine

1-(diaminomethylidene)-2-[(2S)-4-methyl-3-oxo-2-(propan-2-ylamino)pentyl]guanidine (PubChem CID 58787799) has the molecular formula C11H24N6O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[(2S)-4-methyl-3-oxo-2-(propan-2-ylamino)pentyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[(2S)-4-methyl-3-oxo-2-(propan-2-ylamino)pentyl]guanidine
PubChem CID58787799
Molecular FormulaC11H24N6O
Molecular Weight256.35 g/mol
Exact Mass256.20
IUPAC Name1-(diaminomethylidene)-2-[(2S)-4-methyl-3-oxo-2-(propan-2-ylamino)pentyl]guanidine
SMILESCC(C)N[C@@H](C/N=C(\N)N=C(N)N)C(=O)C(C)C
InChIInChI=1S/C11H24N6O/c1-6(2)9(18)8(16-7(3)4)5-15-11(14)17-10(12)13/h6-8,16H,5H2,1-4H3,(H6,12,13,14,15,17)/t8-/m0/s1
InChIKeyOUCVEGOZOKOFQA-QMMMGPOBSA-N
XLogP-0.83
TPSA131.88 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-4-[2-(propan-2-ylamino)propylamino]pentan-3-one
CID 20607818
1-(Dimethylamino)-4-methyl-2-(propan-2-ylamino)pentan-3-one
CID 22893159
4-Methyl-1-(methylamino)-2-(propan-2-ylamino)pentan-3-one
CID 57530766
4-Methyl-2-(methylamino)-1-(propan-2-ylamino)pentan-3-one
CID 57530767
2-[(4S)-6-methyl-5-oxo-4-(propan-2-ylamino)heptyl]guanidine
CID 58787809
2-[6-Methyl-5-oxo-4-(propan-2-ylamino)hept-2-ynyl]guanidine
CID 58787845
(2R)-4-methyl-1,2-bis(propan-2-ylamino)pentan-3-one
CID 58858540
2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine
CID 59223303
2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine
CID 59223305
2-[6-Methyl-5-oxo-4-(propan-2-ylamino)heptyl]guanidine
CID 59349300
(2S)-2-[[(2S)-2-aminopropyl]amino]-4-methylpentan-3-one
CID 59409055
2-[(2S)-2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]guanidine
CID 59834104

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[(2S)-4-methyl-3-oxo-2-(propan-2-ylamino)pentyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[(2S)-4-methyl-3-oxo-2-(propan-2-ylamino)pentyl]guanidine (CID 58787799) is 1-(diaminomethylidene)-2-[(2S)-4-methyl-3-oxo-2-(propan-2-ylamino)pentyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[(2S)-4-methyl-3-oxo-2-(propan-2-ylamino)pentyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[(2S)-4-methyl-3-oxo-2-(propan-2-ylamino)pentyl]guanidine is CC(C)N[C@@H](C/N=C(\N)N=C(N)N)C(=O)C(C)C.
What is the InChIKey of 1-(diaminomethylidene)-2-[(2S)-4-methyl-3-oxo-2-(propan-2-ylamino)pentyl]guanidine?
The InChIKey is OUCVEGOZOKOFQA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H24N6O/c1-6(2)9(18)8(16-7(3)4)5-15-11(14)17-10(12)13/h6-8,16H,5H2,1-4H3,(H6,12,13,14,15,17)/t8-/m0/s1.
What are the key properties of 1-(diaminomethylidene)-2-[(2S)-4-methyl-3-oxo-2-(propan-2-ylamino)pentyl]guanidine?
1-(diaminomethylidene)-2-[(2S)-4-methyl-3-oxo-2-(propan-2-ylamino)pentyl]guanidine has a molecular weight of 256.35 g/mol, XLogP of -0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[(2S)-4-methyl-3-oxo-2-(propan-2-ylamino)pentyl]guanidine is sourced from PubChem (CID 58787799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).