2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine

C18H35N5O2 — CID 111804193

IUPAC2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine
SMILESCCC1(C)NC(=O)N(CCC/N=C(\N)NC(C)CCCC(C)C)C1=O
InChIInChI=1S/C18H35N5O2/c1-6-18(5)15(24)23(17(25)22-18)12-8-11-20-16(19)21-14(4)10-7-9-13(2)3/h13-14H,6-12H2,1-5H3,(H,22,25)(H3,19,20,21)
InChIKeyKTQUHAQBUNXNFQ-UHFFFAOYSA-N
MW353.51 g/mol
LogP2.22
Rot. Bonds10

About 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine

2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine (PubChem CID 111804193) has the molecular formula C18H35N5O2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine.

Molecular Properties

Compound Name2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine
PubChem CID111804193
Molecular FormulaC18H35N5O2
Molecular Weight353.51 g/mol
Exact Mass353.28
IUPAC Name2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine
SMILESCCC1(C)NC(=O)N(CCC/N=C(\N)NC(C)CCCC(C)C)C1=O
InChIInChI=1S/C18H35N5O2/c1-6-18(5)15(24)23(17(25)22-18)12-8-11-20-16(19)21-14(4)10-7-9-13(2)3/h13-14H,6-12H2,1-5H3,(H,22,25)(H3,19,20,21)
InChIKeyKTQUHAQBUNXNFQ-UHFFFAOYSA-N
XLogP2.22
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', '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-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine?
The IUPAC name of 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine (CID 111804193) is 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine.
What is the SMILES notation for 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine?
The canonical SMILES for 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine is CCC1(C)NC(=O)N(CCC/N=C(\N)NC(C)CCCC(C)C)C1=O.
What is the InChIKey of 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine?
The InChIKey is KTQUHAQBUNXNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O2/c1-6-18(5)15(24)23(17(25)22-18)12-8-11-20-16(19)21-14(4)10-7-9-13(2)3/h13-14H,6-12H2,1-5H3,(H,22,25)(H3,19,20,21).
What are the key properties of 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine?
2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine has a molecular weight of 353.51 g/mol, XLogP of 2.22, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine is sourced from PubChem (CID 111804193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).