(1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine

C19H26N2 — CID 81388844

IUPAC(1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccc2ncccc2c1)C1CCCCCC1
InChIInChI=1S/C19H26N2/c1-15(17-7-4-2-3-5-8-17)21-14-16-10-11-19-18(13-16)9-6-12-20-19/h6,9-13,15,17,21H,2-5,7-8,14H2,1H3/t15-/m0/s1
InChIKeyKUEWPTNYMFSANS-HNNXBMFYSA-N
MW282.43 g/mol
LogP4.68
Rot. Bonds4

About (1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine

(1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine (PubChem CID 81388844) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine
PubChem CID81388844
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name(1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccc2ncccc2c1)C1CCCCCC1
InChIInChI=1S/C19H26N2/c1-15(17-7-4-2-3-5-8-17)21-14-16-10-11-19-18(13-16)9-6-12-20-19/h6,9-13,15,17,21H,2-5,7-8,14H2,1H3/t15-/m0/s1
InChIKeyKUEWPTNYMFSANS-HNNXBMFYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine (CID 81388844) is (1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine is C[C@H](NCc1ccc2ncccc2c1)C1CCCCCC1.
What is the InChIKey of (1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine?
The InChIKey is KUEWPTNYMFSANS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N2/c1-15(17-7-4-2-3-5-8-17)21-14-16-10-11-19-18(13-16)9-6-12-20-19/h6,9-13,15,17,21H,2-5,7-8,14H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine?
(1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine has a molecular weight of 282.43 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine is sourced from PubChem (CID 81388844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).