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

C16H26N2O — CID 55139716

IUPAC1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
SMILESCCNC1c2ccccc2CC1N(C)CCCOC
InChIInChI=1S/C16H26N2O/c1-4-17-16-14-9-6-5-8-13(14)12-15(16)18(2)10-7-11-19-3/h5-6,8-9,15-17H,4,7,10-12H2,1-3H3
InChIKeyDPVKWTGPOPOEJC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.23
Rot. Bonds7

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

1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine (PubChem CID 55139716) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
PubChem CID55139716
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
SMILESCCNC1c2ccccc2CC1N(C)CCCOC
InChIInChI=1S/C16H26N2O/c1-4-17-16-14-9-6-5-8-13(14)12-15(16)18(2)10-7-11-19-3/h5-6,8-9,15-17H,4,7,10-12H2,1-3H3
InChIKeyDPVKWTGPOPOEJC-UHFFFAOYSA-N
XLogP2.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 63206524
1-N-ethyl-6-methoxy-2-N-methyl-2-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79375098
2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418822
N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64659795
6-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79370659
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 63631769
2-N-ethyl-2-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 61448210
5-N-ethyl-6-N,6-N-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63466737
N-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64620538
(1R,2R)-1-N,2-N,2-N-trimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 14327151
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

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine (CID 55139716) is 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine is CCNC1c2ccccc2CC1N(C)CCCOC.
What is the InChIKey of 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine?
The InChIKey is DPVKWTGPOPOEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-17-16-14-9-6-5-8-13(14)12-15(16)18(2)10-7-11-19-3/h5-6,8-9,15-17H,4,7,10-12H2,1-3H3.
What are the key properties of 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine?
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.23, 7 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-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine is sourced from PubChem (CID 55139716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).