(1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine

C16H26N2 — CID 113449658

IUPAC(1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1ccc(CN[C@H](C)C2CCCCCC2)cn1
InChIInChI=1S/C16H26N2/c1-13-9-10-15(11-17-13)12-18-14(2)16-7-5-3-4-6-8-16/h9-11,14,16,18H,3-8,12H2,1-2H3/t14-/m1/s1
InChIKeyDLILNAGPXRBKRX-CQSZACIVSA-N
MW246.40 g/mol
LogP3.84
Rot. Bonds4

About (1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine

(1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 113449658) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID113449658
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1ccc(CN[C@H](C)C2CCCCCC2)cn1
InChIInChI=1S/C16H26N2/c1-13-9-10-15(11-17-13)12-18-14(2)16-7-5-3-4-6-8-16/h9-11,14,16,18H,3-8,12H2,1-2H3/t14-/m1/s1
InChIKeyDLILNAGPXRBKRX-CQSZACIVSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cyclohexyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 94912990
(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine
CID 81384480
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470
(1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81391282
(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine
CID 118957385

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of (1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine (CID 113449658) is (1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine is Cc1ccc(CN[C@H](C)C2CCCCCC2)cn1.
What is the InChIKey of (1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is DLILNAGPXRBKRX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-9-10-15(11-17-13)12-18-14(2)16-7-5-3-4-6-8-16/h9-11,14,16,18H,3-8,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
(1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 113449658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).