N-methyl-1-[1-propyl-2-(1,3-thiazol-2-yl)azepan-3-yl]methanamine

C14H25N3S — CID 113373161

IUPACN-methyl-1-[1-propyl-2-(1,3-thiazol-2-yl)azepan-3-yl]methanamine
SMILESCCCN1CCCCC(CNC)C1c1nccs1
InChIInChI=1S/C14H25N3S/c1-3-8-17-9-5-4-6-12(11-15-2)13(17)14-16-7-10-18-14/h7,10,12-13,15H,3-6,8-9,11H2,1-2H3
InChIKeyNCSLQAPQNZHANE-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.92
Rot. Bonds5

About N-methyl-1-[1-propyl-2-(1,3-thiazol-2-yl)azepan-3-yl]methanamine

N-methyl-1-[1-propyl-2-(1,3-thiazol-2-yl)azepan-3-yl]methanamine (PubChem CID 113373161) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-methyl-1-[1-propyl-2-(1,3-thiazol-2-yl)azepan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-propyl-2-(1,3-thiazol-2-yl)azepan-3-yl]methanamine
PubChem CID113373161
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-methyl-1-[1-propyl-2-(1,3-thiazol-2-yl)azepan-3-yl]methanamine
SMILESCCCN1CCCCC(CNC)C1c1nccs1
InChIInChI=1S/C14H25N3S/c1-3-8-17-9-5-4-6-12(11-15-2)13(17)14-16-7-10-18-14/h7,10,12-13,15H,3-6,8-9,11H2,1-2H3
InChIKeyNCSLQAPQNZHANE-UHFFFAOYSA-N
XLogP2.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 103570754
1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66163144
1-[2-(2-bromo-5-chlorophenyl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66160939
1-[1-ethyl-2-(6-methyl-3-pyridinyl)piperidin-3-yl]-N-methylmethanamine
CID 104823700
2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136328
N-methyl-1-[2-(1-propylimidazol-2-yl)cyclohexyl]methanamine
CID 81027726
1-[2-(3-bromo-4-methylphenyl)-1-ethylazepan-3-yl]-N-methylmethanamine
CID 105411489
1-[2-(3-bromothiophen-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 115381357
1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine
CID 79584048
2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 91838515
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole
CID 122139894
1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine
CID 114938579

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-propyl-2-(1,3-thiazol-2-yl)azepan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-propyl-2-(1,3-thiazol-2-yl)azepan-3-yl]methanamine (CID 113373161) is N-methyl-1-[1-propyl-2-(1,3-thiazol-2-yl)azepan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-propyl-2-(1,3-thiazol-2-yl)azepan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-propyl-2-(1,3-thiazol-2-yl)azepan-3-yl]methanamine is CCCN1CCCCC(CNC)C1c1nccs1.
What is the InChIKey of N-methyl-1-[1-propyl-2-(1,3-thiazol-2-yl)azepan-3-yl]methanamine?
The InChIKey is NCSLQAPQNZHANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-8-17-9-5-4-6-12(11-15-2)13(17)14-16-7-10-18-14/h7,10,12-13,15H,3-6,8-9,11H2,1-2H3.
What are the key properties of N-methyl-1-[1-propyl-2-(1,3-thiazol-2-yl)azepan-3-yl]methanamine?
N-methyl-1-[1-propyl-2-(1,3-thiazol-2-yl)azepan-3-yl]methanamine has a molecular weight of 267.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-propyl-2-(1,3-thiazol-2-yl)azepan-3-yl]methanamine is sourced from PubChem (CID 113373161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).