1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine

C18H29N3 — CID 63206524

IUPAC1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine
SMILESCCNC1c2ccccc2CC1N(C)CCN1CCCC1
InChIInChI=1S/C18H29N3/c1-3-19-18-16-9-5-4-8-15(16)14-17(18)20(2)12-13-21-10-6-7-11-21/h4-5,8-9,17-19H,3,6-7,10-14H2,1-2H3
InChIKeyZEGPGSIETCQYRK-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.29
Rot. Bonds6

About 1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine

1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine (PubChem CID 63206524) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine
PubChem CID63206524
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine
SMILESCCNC1c2ccccc2CC1N(C)CCN1CCCC1
InChIInChI=1S/C18H29N3/c1-3-19-18-16-9-5-4-8-15(16)14-17(18)20(2)12-13-21-10-6-7-11-21/h4-5,8-9,17-19H,3,6-7,10-14H2,1-2H3
InChIKeyZEGPGSIETCQYRK-UHFFFAOYSA-N
XLogP2.29
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-ethoxyethyl)-1-N-ethyl-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 81059440
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 55139716
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 63631769
N-ethyl-2-(2-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 83053543
5-N-ethyl-6-N,6-N-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63466737
4-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrrolidin-3-ol
CID 63702905
1-N-ethyl-6-methoxy-2-N-methyl-2-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79375098
5-N-ethyl-6-N-methyl-6-N-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63983993
5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63469910
N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64627978
3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79736974
(1R,2R)-1-N,2-N,2-N-trimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 14327151

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine (CID 63206524) is 1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine is CCNC1c2ccccc2CC1N(C)CCN1CCCC1.
What is the InChIKey of 1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine?
The InChIKey is ZEGPGSIETCQYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-19-18-16-9-5-4-8-15(16)14-17(18)20(2)12-13-21-10-6-7-11-21/h4-5,8-9,17-19H,3,6-7,10-14H2,1-2H3.
What are the key properties of 1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine?
1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine has a molecular weight of 287.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine is sourced from PubChem (CID 63206524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).