2-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-dihydroinden-2-amine

C15H24N2O — CID 62984629

IUPAC2-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-dihydroinden-2-amine
SMILESCOCCCN(C)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C15H24N2O/c1-17(8-5-9-18-2)15(12-16)10-13-6-3-4-7-14(13)11-15/h3-4,6-7H,5,8-12,16H2,1-2H3
InChIKeyKNCVEICXLUZDJO-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.45
Rot. Bonds6

About 2-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-dihydroinden-2-amine

2-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-dihydroinden-2-amine (PubChem CID 62984629) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-dihydroinden-2-amine
PubChem CID62984629
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-dihydroinden-2-amine
SMILESCOCCCN(C)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C15H24N2O/c1-17(8-5-9-18-2)15(12-16)10-13-6-3-4-7-14(13)11-15/h3-4,6-7H,5,8-12,16H2,1-2H3
InChIKeyKNCVEICXLUZDJO-UHFFFAOYSA-N
XLogP1.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine
CID 104647259
1-(aminomethyl)-N-(3-methoxypropyl)-N,4-dimethylcyclohexan-1-amine
CID 62006737
2-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dihydroinden-2-amine
CID 55011209
1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine
CID 65088133
2-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine
CID 61415914
1-(aminomethyl)-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine
CID 61427409
3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 61427796
2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine
CID 61415233
2-(aminomethyl)-N-cyclohexyl-N-methyl-1,3-dihydroinden-2-amine
CID 43809043
2-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methyl-1,3-dihydroinden-2-amine
CID 62002813
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclopropan-1-amine
CID 106661140
3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79928522

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-dihydroinden-2-amine?
The IUPAC name of 2-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-dihydroinden-2-amine (CID 62984629) is 2-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-dihydroinden-2-amine is COCCCN(C)C1(CN)Cc2ccccc2C1.
What is the InChIKey of 2-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-dihydroinden-2-amine?
The InChIKey is KNCVEICXLUZDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(8-5-9-18-2)15(12-16)10-13-6-3-4-7-14(13)11-15/h3-4,6-7H,5,8-12,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-dihydroinden-2-amine?
2-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-dihydroinden-2-amine has a molecular weight of 248.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-dihydroinden-2-amine is sourced from PubChem (CID 62984629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).