1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine

C15H27N3S — CID 79080656

IUPAC1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCc1nc(CC(N)C2(N(C)C)CCCCCC2)cs1
InChIInChI=1S/C15H27N3S/c1-12-17-13(11-19-12)10-14(16)15(18(2)3)8-6-4-5-7-9-15/h11,14H,4-10,16H2,1-3H3
InChIKeyWPOYWWABOASLFF-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.98
Rot. Bonds4

About 1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine

1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 79080656) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID79080656
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCc1nc(CC(N)C2(N(C)C)CCCCCC2)cs1
InChIInChI=1S/C15H27N3S/c1-12-17-13(11-19-12)10-14(16)15(18(2)3)8-6-4-5-7-9-15/h11,14H,4-10,16H2,1-3H3
InChIKeyWPOYWWABOASLFF-UHFFFAOYSA-N
XLogP2.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine (CID 79080656) is 1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine is Cc1nc(CC(N)C2(N(C)C)CCCCCC2)cs1.
What is the InChIKey of 1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is WPOYWWABOASLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-12-17-13(11-19-12)10-14(16)15(18(2)3)8-6-4-5-7-9-15/h11,14H,4-10,16H2,1-3H3.
What are the key properties of 1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine?
1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 79080656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).