2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine

C17H28N2 — CID 79477209

IUPAC2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine
SMILESCCC(C)CN(CC)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C17H28N2/c1-4-14(3)12-19(5-2)17(13-18)10-15-8-6-7-9-16(15)11-17/h6-9,14H,4-5,10-13,18H2,1-3H3
InChIKeyYABARPMTBCTHMI-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.85
Rot. Bonds6

About 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine

2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine (PubChem CID 79477209) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine
PubChem CID79477209
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine
SMILESCCC(C)CN(CC)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C17H28N2/c1-4-14(3)12-19(5-2)17(13-18)10-15-8-6-7-9-16(15)11-17/h6-9,14H,4-5,10-13,18H2,1-3H3
InChIKeyYABARPMTBCTHMI-UHFFFAOYSA-N
XLogP2.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine (CID 79477209) is 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine is CCC(C)CN(CC)C1(CN)Cc2ccccc2C1.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine?
The InChIKey is YABARPMTBCTHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-14(3)12-19(5-2)17(13-18)10-15-8-6-7-9-16(15)11-17/h6-9,14H,4-5,10-13,18H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine?
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine has a molecular weight of 260.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine is sourced from PubChem (CID 79477209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).