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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Related Compounds

1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide
CID 111782092
1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;hydroiodide
CID 111121565
2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(3-ethylphenyl)guanidine
CID 111804185
3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea
CID 99122564
1-(6-methylheptan-2-yl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034761
N-ethyl-N'-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376781
1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-prop-2-enylguanidine
CID 136926217
N-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide
CID 109467765
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 55399975
5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile
CID 60673570
1-(6-methylheptan-2-yl)-2-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111767978
3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 18070377

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).