1-(3-aminopropyl)-3-cyclohexylthiourea

C10H21N3S — CID 23643569

IUPAC1-(3-aminopropyl)-3-cyclohexylthiourea
SMILESNCCCNC(=S)NC1CCCCC1
InChIInChI=1S/C10H21N3S/c11-7-4-8-12-10(14)13-9-5-2-1-3-6-9/h9H,1-8,11H2,(H2,12,13,14)
InChIKeyRUTZIZLQOKISRP-UHFFFAOYSA-N
MW215.37 g/mol
LogP1.13
Rot. Bonds4

About 1-(3-aminopropyl)-3-cyclohexylthiourea

1-(3-aminopropyl)-3-cyclohexylthiourea (PubChem CID 23643569) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-cyclohexylthiourea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-cyclohexylthiourea
PubChem CID23643569
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name1-(3-aminopropyl)-3-cyclohexylthiourea
SMILESNCCCNC(=S)NC1CCCCC1
InChIInChI=1S/C10H21N3S/c11-7-4-8-12-10(14)13-9-5-2-1-3-6-9/h9H,1-8,11H2,(H2,12,13,14)
InChIKeyRUTZIZLQOKISRP-UHFFFAOYSA-N
XLogP1.13
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-cyclohexylthiourea?
The IUPAC name of 1-(3-aminopropyl)-3-cyclohexylthiourea (CID 23643569) is 1-(3-aminopropyl)-3-cyclohexylthiourea.
What is the SMILES notation for 1-(3-aminopropyl)-3-cyclohexylthiourea?
The canonical SMILES for 1-(3-aminopropyl)-3-cyclohexylthiourea is NCCCNC(=S)NC1CCCCC1.
What is the InChIKey of 1-(3-aminopropyl)-3-cyclohexylthiourea?
The InChIKey is RUTZIZLQOKISRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c11-7-4-8-12-10(14)13-9-5-2-1-3-6-9/h9H,1-8,11H2,(H2,12,13,14).
What are the key properties of 1-(3-aminopropyl)-3-cyclohexylthiourea?
1-(3-aminopropyl)-3-cyclohexylthiourea has a molecular weight of 215.37 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-cyclohexylthiourea is sourced from PubChem (CID 23643569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).