N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine

C14H25N3S — CID 66388826

IUPACN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine
SMILESCN(Cc1csc(CCN)n1)C1CCCCCC1
InChIInChI=1S/C14H25N3S/c1-17(13-6-4-2-3-5-7-13)10-12-11-18-14(16-12)8-9-15/h11,13H,2-10,15H2,1H3
InChIKeyVVBLTVFBBNLJBG-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.80
Rot. Bonds5

About N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine

N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine (PubChem CID 66388826) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine
PubChem CID66388826
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine
SMILESCN(Cc1csc(CCN)n1)C1CCCCCC1
InChIInChI=1S/C14H25N3S/c1-17(13-6-4-2-3-5-7-13)10-12-11-18-14(16-12)8-9-15/h11,13H,2-10,15H2,1H3
InChIKeyVVBLTVFBBNLJBG-UHFFFAOYSA-N
XLogP2.80
TPSA42.15 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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine?
The IUPAC name of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine (CID 66388826) is N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine is CN(Cc1csc(CCN)n1)C1CCCCCC1.
What is the InChIKey of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine?
The InChIKey is VVBLTVFBBNLJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-17(13-6-4-2-3-5-7-13)10-12-11-18-14(16-12)8-9-15/h11,13H,2-10,15H2,1H3.
What are the key properties of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine?
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine has a molecular weight of 267.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine is sourced from PubChem (CID 66388826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).