1-(2-aminocyclopentyl)-3-tert-butylurea

C10H21N3O — CID 63251704

IUPAC1-(2-aminocyclopentyl)-3-tert-butylurea
SMILESCC(C)(C)NC(=O)NC1CCCC1N
InChIInChI=1S/C10H21N3O/c1-10(2,3)13-9(14)12-8-6-4-5-7(8)11/h7-8H,4-6,11H2,1-3H3,(H2,12,13,14)
InChIKeyUBTDWZWIIDUWMD-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.96
Rot. Bonds1

About 1-(2-aminocyclopentyl)-3-tert-butylurea

1-(2-aminocyclopentyl)-3-tert-butylurea (PubChem CID 63251704) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(2-aminocyclopentyl)-3-tert-butylurea.

Molecular Properties

Compound Name1-(2-aminocyclopentyl)-3-tert-butylurea
PubChem CID63251704
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(2-aminocyclopentyl)-3-tert-butylurea
SMILESCC(C)(C)NC(=O)NC1CCCC1N
InChIInChI=1S/C10H21N3O/c1-10(2,3)13-9(14)12-8-6-4-5-7(8)11/h7-8H,4-6,11H2,1-3H3,(H2,12,13,14)
InChIKeyUBTDWZWIIDUWMD-UHFFFAOYSA-N
XLogP0.96
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea
CID 115569990
1-tert-butyl-3-cyclobutylurea
CID 17217146
1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea
CID 102724961
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
(2S)-2-[(2-aminocyclohexyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61408334
1-(2-aminocyclohexyl)-3-cyclohexylurea
CID 61036875
N-(2-aminocyclopentyl)cyclopentanecarboxamide
CID 63251373
N-(2-aminocycloheptyl)-2,2-dimethylbutanamide
CID 63258190
1-(2-aminocycloheptyl)-3-propylurea
CID 63258563
ethyl N-(2-aminocyclopentyl)carbamate
CID 63251751
N-(2-aminocyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603334
1-(2-aminocyclopentyl)-3-phenylurea
CID 63251660

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclopentyl)-3-tert-butylurea?
The IUPAC name of 1-(2-aminocyclopentyl)-3-tert-butylurea (CID 63251704) is 1-(2-aminocyclopentyl)-3-tert-butylurea.
What is the SMILES notation for 1-(2-aminocyclopentyl)-3-tert-butylurea?
The canonical SMILES for 1-(2-aminocyclopentyl)-3-tert-butylurea is CC(C)(C)NC(=O)NC1CCCC1N.
What is the InChIKey of 1-(2-aminocyclopentyl)-3-tert-butylurea?
The InChIKey is UBTDWZWIIDUWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2,3)13-9(14)12-8-6-4-5-7(8)11/h7-8H,4-6,11H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-(2-aminocyclopentyl)-3-tert-butylurea?
1-(2-aminocyclopentyl)-3-tert-butylurea has a molecular weight of 199.30 g/mol, XLogP of 0.96, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclopentyl)-3-tert-butylurea is sourced from PubChem (CID 63251704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).