N'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine

C17H28N2 — CID 103787790

IUPACN'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNC1CCc2ccc(C)cc21
InChIInChI=1S/C17H28N2/c1-4-11-19(5-2)12-10-18-17-9-8-15-7-6-14(3)13-16(15)17/h6-7,13,17-18H,4-5,8-12H2,1-3H3
InChIKeyZBGCLJBDHPZGNB-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.30
Rot. Bonds7

About N'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine

N'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine (PubChem CID 103787790) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine
PubChem CID103787790
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNC1CCc2ccc(C)cc21
InChIInChI=1S/C17H28N2/c1-4-11-19(5-2)12-10-18-17-9-8-15-7-6-14(3)13-16(15)17/h6-7,13,17-18H,4-5,8-12H2,1-3H3
InChIKeyZBGCLJBDHPZGNB-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine (CID 103787790) is N'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine is CCCN(CC)CCNC1CCc2ccc(C)cc21.
What is the InChIKey of N'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine?
The InChIKey is ZBGCLJBDHPZGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-11-19(5-2)12-10-18-17-9-8-15-7-6-14(3)13-16(15)17/h6-7,13,17-18H,4-5,8-12H2,1-3H3.
What are the key properties of N'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine?
N'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 103787790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).