2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene

C23H36N2O — CID 142952586

IUPAC2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene
SMILESC/C=C\C(=C/C)COC1=CC2=C(NCCC)C(CN)CC2C=C1.C=CC
InChIInChI=1S/C20H30N2O.C3H6/c1-4-7-15(6-3)14-23-18-9-8-16-11-17(13-21)20(19(16)12-18)22-10-5-2;1-3-2/h4,6-9,12,16-17,22H,5,10-11,13-14,21H2,1-3H3;3H,1H2,2H3/b7-4-,15-6+;
InChIKeyRNYCYDYCLZMGAZ-UUZQLBDQSA-N
MW356.55 g/mol
LogP5.02
Rot. Bonds8

About 2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene

2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene (PubChem CID 142952586) has the molecular formula C23H36N2O and a molecular weight of 356.55 g/mol. Its IUPAC name is 2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene.

Molecular Properties

Compound Name2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene
PubChem CID142952586
Molecular FormulaC23H36N2O
Molecular Weight356.55 g/mol
Exact Mass356.28
IUPAC Name2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene
SMILESC/C=C\C(=C/C)COC1=CC2=C(NCCC)C(CN)CC2C=C1.C=CC
InChIInChI=1S/C20H30N2O.C3H6/c1-4-7-15(6-3)14-23-18-9-8-16-11-17(13-21)20(19(16)12-18)22-10-5-2;1-3-2/h4,6-9,12,16-17,22H,5,10-11,13-14,21H2,1-3H3;3H,1H2,2H3/b7-4-,15-6+;
InChIKeyRNYCYDYCLZMGAZ-UUZQLBDQSA-N
XLogP5.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-1-N-(2-cyclohexylethyl)-4-ethyl-7-(2-fluoroethoxy)-3-N-methylhepta-3,5-diene-1,3-diamine
CID 155347373
2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine
CID 59686728
N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butan-1-amine
CID 69277163
N-[2-(6-methoxy-3a,4-dihydro-3H-inden-1-yl)ethyl]henicos-1-en-2-amine
CID 137414289
6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole
CID 175610469
2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine
CID 142952587

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene?
The IUPAC name of 2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene (CID 142952586) is 2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene.
What is the SMILES notation for 2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene?
The canonical SMILES for 2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene is C/C=C\C(=C/C)COC1=CC2=C(NCCC)C(CN)CC2C=C1.C=CC.
What is the InChIKey of 2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene?
The InChIKey is RNYCYDYCLZMGAZ-UUZQLBDQSA-N. The full InChI is InChI=1S/C20H30N2O.C3H6/c1-4-7-15(6-3)14-23-18-9-8-16-11-17(13-21)20(19(16)12-18)22-10-5-2;1-3-2/h4,6-9,12,16-17,22H,5,10-11,13-14,21H2,1-3H3;3H,1H2,2H3/b7-4-,15-6+;.
What are the key properties of 2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene?
2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene has a molecular weight of 356.55 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene is sourced from PubChem (CID 142952586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).