1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine

C16H24N2 — CID 115117484

IUPAC1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
SMILESCN(Cc1ccc2c(c1)CCC2)C1CCCC1N
InChIInChI=1S/C16H24N2/c1-18(16-7-3-6-15(16)17)11-12-8-9-13-4-2-5-14(13)10-12/h8-10,15-16H,2-7,11,17H2,1H3
InChIKeyDUKWYQBYMQKMSX-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.49
Rot. Bonds3

About 1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine

1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine (PubChem CID 115117484) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
PubChem CID115117484
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
SMILESCN(Cc1ccc2c(c1)CCC2)C1CCCC1N
InChIInChI=1S/C16H24N2/c1-18(16-7-3-6-15(16)17)11-12-8-9-13-4-2-5-14(13)10-12/h8-10,15-16H,2-7,11,17H2,1H3
InChIKeyDUKWYQBYMQKMSX-UHFFFAOYSA-N
XLogP2.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine
CID 115117218
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 115118047
2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine
CID 102637515
1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine
CID 61413397
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 115118030
1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117527
1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine
CID 115117506
2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420564
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine
CID 75512591
2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 61422604
4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 115150200
[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]methanethiol
CID 115228031

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine (CID 115117484) is 1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine is CN(Cc1ccc2c(c1)CCC2)C1CCCC1N.
What is the InChIKey of 1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine?
The InChIKey is DUKWYQBYMQKMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-18(16-7-3-6-15(16)17)11-12-8-9-13-4-2-5-14(13)10-12/h8-10,15-16H,2-7,11,17H2,1H3.
What are the key properties of 1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine?
1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine is sourced from PubChem (CID 115117484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).