2-[(4R)-9-methyl-5,8-dioxo-4-(propan-2-ylamino)decyl]guanidine

C15H30N4O2 — CID 58177869

IUPAC2-[(4R)-9-methyl-5,8-dioxo-4-(propan-2-ylamino)decyl]guanidine
SMILESCC(C)N[C@H](CCCN=C(N)N)C(=O)CCC(=O)C(C)C
InChIInChI=1S/C15H30N4O2/c1-10(2)13(20)7-8-14(21)12(19-11(3)4)6-5-9-18-15(16)17/h10-12,19H,5-9H2,1-4H3,(H4,16,17,18)/t12-/m1/s1
InChIKeyDJPOGTRHRRKLME-GFCCVEGCSA-N
MW298.43 g/mol
LogP0.98
Rot. Bonds11

About 2-[(4R)-9-methyl-5,8-dioxo-4-(propan-2-ylamino)decyl]guanidine

2-[(4R)-9-methyl-5,8-dioxo-4-(propan-2-ylamino)decyl]guanidine (PubChem CID 58177869) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[(4R)-9-methyl-5,8-dioxo-4-(propan-2-ylamino)decyl]guanidine.

Molecular Properties

Compound Name2-[(4R)-9-methyl-5,8-dioxo-4-(propan-2-ylamino)decyl]guanidine
PubChem CID58177869
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name2-[(4R)-9-methyl-5,8-dioxo-4-(propan-2-ylamino)decyl]guanidine
SMILESCC(C)N[C@H](CCCN=C(N)N)C(=O)CCC(=O)C(C)C
InChIInChI=1S/C15H30N4O2/c1-10(2)13(20)7-8-14(21)12(19-11(3)4)6-5-9-18-15(16)17/h10-12,19H,5-9H2,1-4H3,(H4,16,17,18)/t12-/m1/s1
InChIKeyDJPOGTRHRRKLME-GFCCVEGCSA-N
XLogP0.98
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-9-methyl-5,8-dioxo-4-(propan-2-ylamino)decyl]guanidine?
The IUPAC name of 2-[(4R)-9-methyl-5,8-dioxo-4-(propan-2-ylamino)decyl]guanidine (CID 58177869) is 2-[(4R)-9-methyl-5,8-dioxo-4-(propan-2-ylamino)decyl]guanidine.
What is the SMILES notation for 2-[(4R)-9-methyl-5,8-dioxo-4-(propan-2-ylamino)decyl]guanidine?
The canonical SMILES for 2-[(4R)-9-methyl-5,8-dioxo-4-(propan-2-ylamino)decyl]guanidine is CC(C)N[C@H](CCCN=C(N)N)C(=O)CCC(=O)C(C)C.
What is the InChIKey of 2-[(4R)-9-methyl-5,8-dioxo-4-(propan-2-ylamino)decyl]guanidine?
The InChIKey is DJPOGTRHRRKLME-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-10(2)13(20)7-8-14(21)12(19-11(3)4)6-5-9-18-15(16)17/h10-12,19H,5-9H2,1-4H3,(H4,16,17,18)/t12-/m1/s1.
What are the key properties of 2-[(4R)-9-methyl-5,8-dioxo-4-(propan-2-ylamino)decyl]guanidine?
2-[(4R)-9-methyl-5,8-dioxo-4-(propan-2-ylamino)decyl]guanidine has a molecular weight of 298.43 g/mol, XLogP of 0.98, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-9-methyl-5,8-dioxo-4-(propan-2-ylamino)decyl]guanidine is sourced from PubChem (CID 58177869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).