1-(3-aminocyclobutyl)-3-ethylurea

C7H15N3O — CID 43596703

IUPAC1-(3-aminocyclobutyl)-3-ethylurea
SMILESCCNC(=O)NC1CC(N)C1
InChIInChI=1S/C7H15N3O/c1-2-9-7(11)10-6-3-5(8)4-6/h5-6H,2-4,8H2,1H3,(H2,9,10,11)
InChIKeySYMTUNRJXXOJRD-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.20
Rot. Bonds2

About 1-(3-aminocyclobutyl)-3-ethylurea

1-(3-aminocyclobutyl)-3-ethylurea (PubChem CID 43596703) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-(3-aminocyclobutyl)-3-ethylurea.

Molecular Properties

Compound Name1-(3-aminocyclobutyl)-3-ethylurea
PubChem CID43596703
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-(3-aminocyclobutyl)-3-ethylurea
SMILESCCNC(=O)NC1CC(N)C1
InChIInChI=1S/C7H15N3O/c1-2-9-7(11)10-6-3-5(8)4-6/h5-6H,2-4,8H2,1H3,(H2,9,10,11)
InChIKeySYMTUNRJXXOJRD-UHFFFAOYSA-N
XLogP-0.20
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-[3-[(2R)-2-ethyl-3-methylbutyl]cyclobutyl]urea
CID 174009059
1-(3-aminocyclobutyl)-3-cyclopropylurea
CID 62700809
1-cyclopentyl-3-ethylurea;ethane
CID 145358709
N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide
CID 59418797
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
1-ethyl-3-(3-hydroxycyclohexyl)urea
CID 103618902
1-ethyl-3-[(1R,3R)-3-(2-methylsulfanylpropyl)cyclohexyl]urea
CID 167076650
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea
CID 146109282
4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216361
(3-ethylcyclobutyl)carbamic acid
CID 89387578
1-(2,2-dimethylcyclopropyl)-3-ethylurea
CID 115590496

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclobutyl)-3-ethylurea?
The IUPAC name of 1-(3-aminocyclobutyl)-3-ethylurea (CID 43596703) is 1-(3-aminocyclobutyl)-3-ethylurea.
What is the SMILES notation for 1-(3-aminocyclobutyl)-3-ethylurea?
The canonical SMILES for 1-(3-aminocyclobutyl)-3-ethylurea is CCNC(=O)NC1CC(N)C1.
What is the InChIKey of 1-(3-aminocyclobutyl)-3-ethylurea?
The InChIKey is SYMTUNRJXXOJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-2-9-7(11)10-6-3-5(8)4-6/h5-6H,2-4,8H2,1H3,(H2,9,10,11).
What are the key properties of 1-(3-aminocyclobutyl)-3-ethylurea?
1-(3-aminocyclobutyl)-3-ethylurea has a molecular weight of 157.22 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclobutyl)-3-ethylurea is sourced from PubChem (CID 43596703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).