N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cycloheptyl]methyl]ethanamine

C20H31N — CID 81027505

IUPACN-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C20H31N/c1-2-21-15-20-8-5-3-4-7-19(20)14-16-11-12-17-9-6-10-18(17)13-16/h11-13,19-21H,2-10,14-15H2,1H3
InChIKeyHFTUVFXTFFYIDW-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.52
Rot. Bonds5

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

N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cycloheptyl]methyl]ethanamine (PubChem CID 81027505) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cycloheptyl]methyl]ethanamine
PubChem CID81027505
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C20H31N/c1-2-21-15-20-8-5-3-4-7-19(20)14-16-11-12-17-9-6-10-18(17)13-16/h11-13,19-21H,2-10,14-15H2,1H3
InChIKeyHFTUVFXTFFYIDW-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81028379
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 103042344
1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81033022
N-[[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 81028517
N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025478
3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine
CID 106779364
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-ethylethane-1,2-diamine
CID 115205974
N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028134
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103042336
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 107889369
N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine
CID 81026356
N-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81034374

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cycloheptyl]methyl]ethanamine (CID 81027505) is N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cycloheptyl]methyl]ethanamine is CCNCC1CCCCCC1Cc1ccc2c(c1)CCC2.
What is the InChIKey of N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cycloheptyl]methyl]ethanamine?
The InChIKey is HFTUVFXTFFYIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-2-21-15-20-8-5-3-4-7-19(20)14-16-11-12-17-9-6-10-18(17)13-16/h11-13,19-21H,2-10,14-15H2,1H3.
What are the key properties of N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cycloheptyl]methyl]ethanamine?
N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cycloheptyl]methyl]ethanamine has a molecular weight of 285.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 81027505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).