N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine

C20H31N — CID 81028379

IUPACN-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCC1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C20H31N/c1-15(2)21-14-20-7-4-3-6-19(20)13-16-10-11-17-8-5-9-18(17)12-16/h10-12,15,19-21H,3-9,13-14H2,1-2H3
InChIKeySUUNUUGAUVFVOT-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.52
Rot. Bonds5

About N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine

N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81028379) 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)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
PubChem CID81028379
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCC1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C20H31N/c1-15(2)21-14-20-7-4-3-6-19(20)13-16-10-11-17-8-5-9-18(17)12-16/h10-12,15,19-21H,3-9,13-14H2,1-2H3
InChIKeySUUNUUGAUVFVOT-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)cycloheptyl]methyl]ethanamine
CID 81027505
N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81025704
N-[[2-[(4-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81026709
N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033706
N-[(2-benzylcycloheptyl)methyl]propan-2-amine
CID 81026493
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 103042330
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81024765
N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81033564
N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81024241
(1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81391872
1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81033022

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine (CID 81028379) is N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine is CC(C)NCC1CCCCC1Cc1ccc2c(c1)CCC2.
What is the InChIKey of N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is SUUNUUGAUVFVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-15(2)21-14-20-7-4-3-6-19(20)13-16-10-11-17-8-5-9-18(17)12-16/h10-12,15,19-21H,3-9,13-14H2,1-2H3.
What are the key properties of N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine?
N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine 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)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81028379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).