1-(2-aminoethyl)-3-pentylthiourea

C8H19N3S — CID 87697549

IUPAC1-(2-aminoethyl)-3-pentylthiourea
SMILESCCCCCNC(=S)NCCN
InChIInChI=1S/C8H19N3S/c1-2-3-4-6-10-8(12)11-7-5-9/h2-7,9H2,1H3,(H2,10,11,12)
InChIKeyIHDJRDRYRSNNHX-UHFFFAOYSA-N
MW189.33 g/mol
LogP0.60
Rot. Bonds6

About 1-(2-aminoethyl)-3-pentylthiourea

1-(2-aminoethyl)-3-pentylthiourea (PubChem CID 87697549) has the molecular formula C8H19N3S and a molecular weight of 189.33 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-pentylthiourea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-pentylthiourea
PubChem CID87697549
Molecular FormulaC8H19N3S
Molecular Weight189.33 g/mol
Exact Mass189.13
IUPAC Name1-(2-aminoethyl)-3-pentylthiourea
SMILESCCCCCNC(=S)NCCN
InChIInChI=1S/C8H19N3S/c1-2-3-4-6-10-8(12)11-7-5-9/h2-7,9H2,1H3,(H2,10,11,12)
InChIKeyIHDJRDRYRSNNHX-UHFFFAOYSA-N
XLogP0.60
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.33
LogP ≤ 50.60
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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Related Compounds

1-butyl-3-heptylthiourea
CID 19650868
1-amino-3-decylthiourea
CID 4614128
1-decyl-3-(2-hydroxyethyl)thiourea
CID 3473158
1-(2-aminoethyl)-3-pentylurea
CID 87091814
1-hexyl-3-(hexylcarbamothioylamino)thiourea
CID 71356977
1-dodecyl-3-methylthiourea
CID 5151745
1-(3-ethoxypropyl)-3-pentylthiourea
CID 115570291
(pentylcarbamothioylamino)urea
CID 3705847
1-(2-methoxyethyl)-3-nonylthiourea
CID 19651136
decan-1-amine;decylcarbamodithioic acid
CID 71332408
pentylthiourea;hydrochloride
CID 87769181
1-butyl-3-(3-hydroxypropyl)thiourea
CID 127063787

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-pentylthiourea?
The IUPAC name of 1-(2-aminoethyl)-3-pentylthiourea (CID 87697549) is 1-(2-aminoethyl)-3-pentylthiourea.
What is the SMILES notation for 1-(2-aminoethyl)-3-pentylthiourea?
The canonical SMILES for 1-(2-aminoethyl)-3-pentylthiourea is CCCCCNC(=S)NCCN.
What is the InChIKey of 1-(2-aminoethyl)-3-pentylthiourea?
The InChIKey is IHDJRDRYRSNNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3S/c1-2-3-4-6-10-8(12)11-7-5-9/h2-7,9H2,1H3,(H2,10,11,12).
What are the key properties of 1-(2-aminoethyl)-3-pentylthiourea?
1-(2-aminoethyl)-3-pentylthiourea has a molecular weight of 189.33 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-pentylthiourea is sourced from PubChem (CID 87697549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).