N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine

C17H29N3O — CID 62095500

IUPACN-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
SMILESCCN(C(C)COC)C(CN)c1ccc2c(c1)CCN2C
InChIInChI=1S/C17H29N3O/c1-5-20(13(2)12-21-4)17(11-18)14-6-7-16-15(10-14)8-9-19(16)3/h6-7,10,13,17H,5,8-9,11-12,18H2,1-4H3
InChIKeyMKIZKNXZFVFEGQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.04
Rot. Bonds7

About N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine

N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine (PubChem CID 62095500) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
PubChem CID62095500
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
SMILESCCN(C(C)COC)C(CN)c1ccc2c(c1)CCN2C
InChIInChI=1S/C17H29N3O/c1-5-20(13(2)12-21-4)17(11-18)14-6-7-16-15(10-14)8-9-19(16)3/h6-7,10,13,17H,5,8-9,11-12,18H2,1-4H3
InChIKeyMKIZKNXZFVFEGQ-UHFFFAOYSA-N
XLogP2.04
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine (CID 62095500) is N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine is CCN(C(C)COC)C(CN)c1ccc2c(c1)CCN2C.
What is the InChIKey of N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
The InChIKey is MKIZKNXZFVFEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-20(13(2)12-21-4)17(11-18)14-6-7-16-15(10-14)8-9-19(16)3/h6-7,10,13,17H,5,8-9,11-12,18H2,1-4H3.
What are the key properties of N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 62095500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).