1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea

C11H23N3O — CID 79153079

IUPAC1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea
SMILESCCN(C(=O)N(C)C)C1CCCC1CN
InChIInChI=1S/C11H23N3O/c1-4-14(11(15)13(2)3)10-7-5-6-9(10)8-12/h9-10H,4-8,12H2,1-3H3
InChIKeyIRQDKHVTFXSCFG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.12
Rot. Bonds3

About 1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea

1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea (PubChem CID 79153079) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea
PubChem CID79153079
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea
SMILESCCN(C(=O)N(C)C)C1CCCC1CN
InChIInChI=1S/C11H23N3O/c1-4-14(11(15)13(2)3)10-7-5-6-9(10)8-12/h9-10H,4-8,12H2,1-3H3
InChIKeyIRQDKHVTFXSCFG-UHFFFAOYSA-N
XLogP1.12
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea?
The IUPAC name of 1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea (CID 79153079) is 1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea.
What is the SMILES notation for 1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea?
The canonical SMILES for 1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea is CCN(C(=O)N(C)C)C1CCCC1CN.
What is the InChIKey of 1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea?
The InChIKey is IRQDKHVTFXSCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-14(11(15)13(2)3)10-7-5-6-9(10)8-12/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea?
1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea has a molecular weight of 213.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea is sourced from PubChem (CID 79153079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).