(1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine

C19H29N — CID 81391872

IUPAC(1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccc2c(c1)CCC2)C1CCCCCC1
InChIInChI=1S/C19H29N/c1-15(17-7-4-2-3-5-8-17)20-14-16-11-12-18-9-6-10-19(18)13-16/h11-13,15,17,20H,2-10,14H2,1H3/t15-/m0/s1
InChIKeyPFWSDAUNNYNIBD-HNNXBMFYSA-N
MW271.45 g/mol
LogP4.62
Rot. Bonds4

About (1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine

(1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine (PubChem CID 81391872) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
PubChem CID81391872
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name(1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccc2c(c1)CCC2)C1CCCCCC1
InChIInChI=1S/C19H29N/c1-15(17-7-4-2-3-5-8-17)20-14-16-11-12-18-9-6-10-19(18)13-16/h11-13,15,17,20H,2-10,14H2,1H3/t15-/m0/s1
InChIKeyPFWSDAUNNYNIBD-HNNXBMFYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 81390953
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
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-[(3,4-difluorophenyl)methyl]ethanamine
CID 81390721
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine
CID 81392983
(1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 81391098
(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81384987
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine (CID 81391872) is (1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine is C[C@H](NCc1ccc2c(c1)CCC2)C1CCCCCC1.
What is the InChIKey of (1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine?
The InChIKey is PFWSDAUNNYNIBD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N/c1-15(17-7-4-2-3-5-8-17)20-14-16-11-12-18-9-6-10-19(18)13-16/h11-13,15,17,20H,2-10,14H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine?
(1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine has a molecular weight of 271.45 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine is sourced from PubChem (CID 81391872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).