1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine

C18H28N2 — CID 79036169

IUPAC1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2ccc3c(c2)CCC3)CCCC1
InChIInChI=1S/C18H28N2/c1-20(2)18(10-3-4-11-18)14-19-13-15-8-9-16-6-5-7-17(16)12-15/h8-9,12,19H,3-7,10-11,13-14H2,1-2H3
InChIKeyNGFKQXJNXUOFBW-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.14
Rot. Bonds5

About 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine

1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 79036169) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID79036169
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2ccc3c(c2)CCC3)CCCC1
InChIInChI=1S/C18H28N2/c1-20(2)18(10-3-4-11-18)14-19-13-15-8-9-16-6-5-7-17(16)12-15/h8-9,12,19H,3-7,10-11,13-14H2,1-2H3
InChIKeyNGFKQXJNXUOFBW-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 79175035
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
1-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81002628
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol
CID 28621925
3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol
CID 28622087
1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 28530508
1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 103581874
1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 107038834
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246507
N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 115281280
N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine
CID 113244920
1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415633

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine (CID 79036169) is 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine is CN(C)C1(CNCc2ccc3c(c2)CCC3)CCCC1.
What is the InChIKey of 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is NGFKQXJNXUOFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-20(2)18(10-3-4-11-18)14-19-13-15-8-9-16-6-5-7-17(16)12-15/h8-9,12,19H,3-7,10-11,13-14H2,1-2H3.
What are the key properties of 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79036169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).