1-amino-3-[3-[di(propan-2-yl)amino]propyl]thiourea

C10H24N4S — CID 154248369

IUPAC1-amino-3-[3-[di(propan-2-yl)amino]propyl]thiourea
SMILESCC(C)N(CCCNC(=S)NN)C(C)C
InChIInChI=1S/C10H24N4S/c1-8(2)14(9(3)4)7-5-6-12-10(15)13-11/h8-9H,5-7,11H2,1-4H3,(H2,12,13,15)
InChIKeyXOZOMHIGEUEMJM-UHFFFAOYSA-N
MW232.40 g/mol
LogP0.83
Rot. Bonds6

About 1-amino-3-[3-[di(propan-2-yl)amino]propyl]thiourea

1-amino-3-[3-[di(propan-2-yl)amino]propyl]thiourea (PubChem CID 154248369) has the molecular formula C10H24N4S and a molecular weight of 232.40 g/mol. Its IUPAC name is 1-amino-3-[3-[di(propan-2-yl)amino]propyl]thiourea.

Molecular Properties

Compound Name1-amino-3-[3-[di(propan-2-yl)amino]propyl]thiourea
PubChem CID154248369
Molecular FormulaC10H24N4S
Molecular Weight232.40 g/mol
Exact Mass232.17
IUPAC Name1-amino-3-[3-[di(propan-2-yl)amino]propyl]thiourea
SMILESCC(C)N(CCCNC(=S)NN)C(C)C
InChIInChI=1S/C10H24N4S/c1-8(2)14(9(3)4)7-5-6-12-10(15)13-11/h8-9H,5-7,11H2,1-4H3,(H2,12,13,15)
InChIKeyXOZOMHIGEUEMJM-UHFFFAOYSA-N
XLogP0.83
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dibutylhydrazine-1,2-dicarbothioamide
CID 5386096
4-Sec-butyl-thiosemicarbazide
CID 3962768
4-[2-Dimethylaminopropyl]thiosemicarbazide
CID 5366287
3-Amino-1-[3-(dimethylamino)propyl]thiourea
CID 10012455
1-Amino-3-[3-(diethylamino)propyl]thiourea
CID 10330564
1-Amino-3-[2-(dipropylamino)ethyl]thiourea
CID 18341778
1-(Carbamothioylamino)-3-propan-2-ylthiourea
CID 20226480
1-Methyl-3-(propan-2-ylcarbamothioylamino)thiourea
CID 23460796
1-Amino-3-pentan-3-ylthiourea
CID 33788026
1-Amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea
CID 43118346
1-Propan-2-yl-3-(propan-2-ylamino)thiourea
CID 57863360
1-(Carbamothioylamino)-1,3-bis[3-(dimethylamino)propyl]thiourea
CID 123211872

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-[di(propan-2-yl)amino]propyl]thiourea?
The IUPAC name of 1-amino-3-[3-[di(propan-2-yl)amino]propyl]thiourea (CID 154248369) is 1-amino-3-[3-[di(propan-2-yl)amino]propyl]thiourea.
What is the SMILES notation for 1-amino-3-[3-[di(propan-2-yl)amino]propyl]thiourea?
The canonical SMILES for 1-amino-3-[3-[di(propan-2-yl)amino]propyl]thiourea is CC(C)N(CCCNC(=S)NN)C(C)C.
What is the InChIKey of 1-amino-3-[3-[di(propan-2-yl)amino]propyl]thiourea?
The InChIKey is XOZOMHIGEUEMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4S/c1-8(2)14(9(3)4)7-5-6-12-10(15)13-11/h8-9H,5-7,11H2,1-4H3,(H2,12,13,15).
What are the key properties of 1-amino-3-[3-[di(propan-2-yl)amino]propyl]thiourea?
1-amino-3-[3-[di(propan-2-yl)amino]propyl]thiourea has a molecular weight of 232.40 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-[di(propan-2-yl)amino]propyl]thiourea is sourced from PubChem (CID 154248369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).