2-[(6S)-1,6-diamino-8-methyl-5-oxononyl]guanidine

C11H25N5O — CID 57184499

IUPAC2-[(6S)-1,6-diamino-8-methyl-5-oxononyl]guanidine
SMILESCC(C)C[C@H](N)C(=O)CCCC(N)N=C(N)N
InChIInChI=1S/C11H25N5O/c1-7(2)6-8(12)9(17)4-3-5-10(13)16-11(14)15/h7-8,10H,3-6,12-13H2,1-2H3,(H4,14,15,16)/t8-,10?/m0/s1
InChIKeyIYURGCVVVXPZBJ-PEHGTWAWSA-N
MW243.35 g/mol
LogP-0.34
Rot. Bonds8

About 2-[(6S)-1,6-diamino-8-methyl-5-oxononyl]guanidine

2-[(6S)-1,6-diamino-8-methyl-5-oxononyl]guanidine (PubChem CID 57184499) has the molecular formula C11H25N5O and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(6S)-1,6-diamino-8-methyl-5-oxononyl]guanidine.

Molecular Properties

Compound Name2-[(6S)-1,6-diamino-8-methyl-5-oxononyl]guanidine
PubChem CID57184499
Molecular FormulaC11H25N5O
Molecular Weight243.35 g/mol
Exact Mass243.21
IUPAC Name2-[(6S)-1,6-diamino-8-methyl-5-oxononyl]guanidine
SMILESCC(C)C[C@H](N)C(=O)CCCC(N)N=C(N)N
InChIInChI=1S/C11H25N5O/c1-7(2)6-8(12)9(17)4-3-5-10(13)16-11(14)15/h7-8,10H,3-6,12-13H2,1-2H3,(H4,14,15,16)/t8-,10?/m0/s1
InChIKeyIYURGCVVVXPZBJ-PEHGTWAWSA-N
XLogP-0.34
TPSA133.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-1,6-diamino-8-methyl-5-oxononyl]guanidine?
The IUPAC name of 2-[(6S)-1,6-diamino-8-methyl-5-oxononyl]guanidine (CID 57184499) is 2-[(6S)-1,6-diamino-8-methyl-5-oxononyl]guanidine.
What is the SMILES notation for 2-[(6S)-1,6-diamino-8-methyl-5-oxononyl]guanidine?
The canonical SMILES for 2-[(6S)-1,6-diamino-8-methyl-5-oxononyl]guanidine is CC(C)C[C@H](N)C(=O)CCCC(N)N=C(N)N.
What is the InChIKey of 2-[(6S)-1,6-diamino-8-methyl-5-oxononyl]guanidine?
The InChIKey is IYURGCVVVXPZBJ-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H25N5O/c1-7(2)6-8(12)9(17)4-3-5-10(13)16-11(14)15/h7-8,10H,3-6,12-13H2,1-2H3,(H4,14,15,16)/t8-,10?/m0/s1.
What are the key properties of 2-[(6S)-1,6-diamino-8-methyl-5-oxononyl]guanidine?
2-[(6S)-1,6-diamino-8-methyl-5-oxononyl]guanidine has a molecular weight of 243.35 g/mol, XLogP of -0.34, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-1,6-diamino-8-methyl-5-oxononyl]guanidine is sourced from PubChem (CID 57184499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).