3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine

C18H31N3 — CID 102998678

IUPAC3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine
SMILESCCN(CC)CCCN(CC)C1CC(N)c2ccccc21
InChIInChI=1S/C18H31N3/c1-4-20(5-2)12-9-13-21(6-3)18-14-17(19)15-10-7-8-11-16(15)18/h7-8,10-11,17-18H,4-6,9,12-14,19H2,1-3H3
InChIKeyWNMOCGRVIOTYHZ-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.18
Rot. Bonds8

About 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine

3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine (PubChem CID 102998678) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine.

Molecular Properties

Compound Name3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine
PubChem CID102998678
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine
SMILESCCN(CC)CCCN(CC)C1CC(N)c2ccccc21
InChIInChI=1S/C18H31N3/c1-4-20(5-2)12-9-13-21(6-3)18-14-17(19)15-10-7-8-11-16(15)18/h7-8,10-11,17-18H,4-6,9,12-14,19H2,1-3H3
InChIKeyWNMOCGRVIOTYHZ-UHFFFAOYSA-N
XLogP3.18
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2,3-dihydro-1H-indene-1,3-diamine
CID 113365197
3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine
CID 102992615
N-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 90805957
(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 28502914
N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine
CID 102998669
2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420605
N'-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N'-ethylethane-1,2-diamine
CID 114231049
N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102992514
5-(2,3-dihydro-1H-inden-1-yl)-N,N-diethyldecan-1-amine
CID 174824376
N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
CID 43095798
N'-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-N'-phenylpropane-1,3-diamine
CID 67172974
N,N-diethyl-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanamine;hydrochloride
CID 21126838

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine?
The IUPAC name of 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine (CID 102998678) is 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine.
What is the SMILES notation for 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine?
The canonical SMILES for 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine is CCN(CC)CCCN(CC)C1CC(N)c2ccccc21.
What is the InChIKey of 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine?
The InChIKey is WNMOCGRVIOTYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-20(5-2)12-9-13-21(6-3)18-14-17(19)15-10-7-8-11-16(15)18/h7-8,10-11,17-18H,4-6,9,12-14,19H2,1-3H3.
What are the key properties of 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine?
3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine has a molecular weight of 289.47 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine is sourced from PubChem (CID 102998678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).