1-(cyclohexylamino)-3-propylurea

C10H21N3O — CID 19825800

IUPAC1-(cyclohexylamino)-3-propylurea
SMILESCCCNC(=O)NNC1CCCCC1
InChIInChI=1S/C10H21N3O/c1-2-8-11-10(14)13-12-9-6-4-3-5-7-9/h9,12H,2-8H2,1H3,(H2,11,13,14)
InChIKeyAJRYUIAOAWVKTA-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.53
Rot. Bonds4

About 1-(cyclohexylamino)-3-propylurea

1-(cyclohexylamino)-3-propylurea (PubChem CID 19825800) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(cyclohexylamino)-3-propylurea.

Molecular Properties

Compound Name1-(cyclohexylamino)-3-propylurea
PubChem CID19825800
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(cyclohexylamino)-3-propylurea
SMILESCCCNC(=O)NNC1CCCCC1
InChIInChI=1S/C10H21N3O/c1-2-8-11-10(14)13-12-9-6-4-3-5-7-9/h9,12H,2-8H2,1H3,(H2,11,13,14)
InChIKeyAJRYUIAOAWVKTA-UHFFFAOYSA-N
XLogP1.53
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-3-propylurea?
The IUPAC name of 1-(cyclohexylamino)-3-propylurea (CID 19825800) is 1-(cyclohexylamino)-3-propylurea.
What is the SMILES notation for 1-(cyclohexylamino)-3-propylurea?
The canonical SMILES for 1-(cyclohexylamino)-3-propylurea is CCCNC(=O)NNC1CCCCC1.
What is the InChIKey of 1-(cyclohexylamino)-3-propylurea?
The InChIKey is AJRYUIAOAWVKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-8-11-10(14)13-12-9-6-4-3-5-7-9/h9,12H,2-8H2,1H3,(H2,11,13,14).
What are the key properties of 1-(cyclohexylamino)-3-propylurea?
1-(cyclohexylamino)-3-propylurea has a molecular weight of 199.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-3-propylurea is sourced from PubChem (CID 19825800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).