N-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

C15H27N3S — CID 55073796

IUPACN-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCCCNCc1nc(CN(CC(C)C)C2CC2)cs1
InChIInChI=1S/C15H27N3S/c1-4-7-16-8-15-17-13(11-19-15)10-18(9-12(2)3)14-5-6-14/h11-12,14,16H,4-10H2,1-3H3
InChIKeyYZAIJXLTGGZZKD-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.26
Rot. Bonds9

About N-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

N-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 55073796) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID55073796
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCCCNCc1nc(CN(CC(C)C)C2CC2)cs1
InChIInChI=1S/C15H27N3S/c1-4-7-16-8-15-17-13(11-19-15)10-18(9-12(2)3)14-5-6-14/h11-12,14,16H,4-10H2,1-3H3
InChIKeyYZAIJXLTGGZZKD-UHFFFAOYSA-N
XLogP3.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62418324
N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]-N-propylcyclopropanamine
CID 62421786
N-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62430675
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine
CID 62434020
N-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62461115
N-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55074876
N-[[4-[[cyclohexylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62411836
N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62443364
N-[[4-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 63705658
N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 81067851
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine
CID 62422802
2-methyl-N-[[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 63865087

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 55073796) is N-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is CCCNCc1nc(CN(CC(C)C)C2CC2)cs1.
What is the InChIKey of N-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is YZAIJXLTGGZZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-7-16-8-15-17-13(11-19-15)10-18(9-12(2)3)14-5-6-14/h11-12,14,16H,4-10H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 281.47 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55073796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).