3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine

C13H20N2S — CID 115639509

IUPAC3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESc1sc(C2CC2)nc1CNCCCC1CC1
InChIInChI=1S/C13H20N2S/c1(2-10-3-4-10)7-14-8-12-9-16-13(15-12)11-5-6-11/h9-11,14H,1-8H2
InChIKeyRKGRFUPQHFYMHM-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.30
Rot. Bonds7

About 3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine

3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine (PubChem CID 115639509) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine
PubChem CID115639509
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESc1sc(C2CC2)nc1CNCCCC1CC1
InChIInChI=1S/C13H20N2S/c1(2-10-3-4-10)7-14-8-12-9-16-13(15-12)11-5-6-11/h9-11,14H,1-8H2
InChIKeyRKGRFUPQHFYMHM-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]hex-5-yn-1-amine
CID 115694154
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115639498
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine
CID 115690921
1-(2-cyclopropyl-1,3-thiazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 115625726
1-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425440
1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine
CID 129001955
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-methylbutan-2-amine
CID 115625561
N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116888553
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 61280289
N-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 97178754

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine (CID 115639509) is 3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine is c1sc(C2CC2)nc1CNCCCC1CC1.
What is the InChIKey of 3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The InChIKey is RKGRFUPQHFYMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1(2-10-3-4-10)7-14-8-12-9-16-13(15-12)11-5-6-11/h9-11,14H,1-8H2.
What are the key properties of 3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine has a molecular weight of 236.38 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115639509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).