[2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine

C12H21N3S — CID 65287071

IUPAC[2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC1(C)CCCN(c2ncc(CN)s2)CC1
InChIInChI=1S/C12H21N3S/c1-12(2)4-3-6-15(7-5-12)11-14-9-10(8-13)16-11/h9H,3-8,13H2,1-2H3
InChIKeyGLHZSCRACNVDDB-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.62
Rot. Bonds2

About [2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine

[2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 65287071) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is [2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID65287071
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name[2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC1(C)CCCN(c2ncc(CN)s2)CC1
InChIInChI=1S/C12H21N3S/c1-12(2)4-3-6-15(7-5-12)11-14-9-10(8-13)16-11/h9H,3-8,13H2,1-2H3
InChIKeyGLHZSCRACNVDDB-UHFFFAOYSA-N
XLogP2.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine (CID 65287071) is [2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine is CC1(C)CCCN(c2ncc(CN)s2)CC1.
What is the InChIKey of [2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is GLHZSCRACNVDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-12(2)4-3-6-15(7-5-12)11-14-9-10(8-13)16-11/h9H,3-8,13H2,1-2H3.
What are the key properties of [2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
[2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 239.39 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 65287071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).