1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea

C11H23N3O — CID 116652081

IUPAC1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea
SMILESCCCCNC(=O)N(C)C(CN)C1CC1
InChIInChI=1S/C11H23N3O/c1-3-4-7-13-11(15)14(2)10(8-12)9-5-6-9/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyIZPPQHYBOPMJDJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.17
Rot. Bonds6

About 1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea

1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea (PubChem CID 116652081) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea.

Molecular Properties

Compound Name1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea
PubChem CID116652081
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea
SMILESCCCCNC(=O)N(C)C(CN)C1CC1
InChIInChI=1S/C11H23N3O/c1-3-4-7-13-11(15)14(2)10(8-12)9-5-6-9/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyIZPPQHYBOPMJDJ-UHFFFAOYSA-N
XLogP1.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-1-cyclopropylethyl)-3-cyclopropyl-1-methylurea
CID 116652105
1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea
CID 107654315
1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea
CID 116652099
1-(1-cyclopropylethyl)-1-methyl-3-propylurea
CID 115577776
3-butyl-1-(butylcarbamoyl)-1-methylurea
CID 173294648
3-(aminomethyl)-N-butylpentanamide
CID 81071551
N-(2-amino-1-cyclopropylethyl)-2-cyclopentyl-N-methylacetamide
CID 116651718
N-(2-amino-1-cyclopropylethyl)-3,3,3-trifluoro-N-methylpropanamide
CID 116651949
N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide
CID 116651891
1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea
CID 116652103
N-(2-amino-1-cyclopropylethyl)-N,1-dimethylcyclopentane-1-carboxamide
CID 116651586
N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide
CID 116652070

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea?
The IUPAC name of 1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea (CID 116652081) is 1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea.
What is the SMILES notation for 1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea?
The canonical SMILES for 1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea is CCCCNC(=O)N(C)C(CN)C1CC1.
What is the InChIKey of 1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea?
The InChIKey is IZPPQHYBOPMJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-4-7-13-11(15)14(2)10(8-12)9-5-6-9/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea?
1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea has a molecular weight of 213.32 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea is sourced from PubChem (CID 116652081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).