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

C20H30N2O — CID 142952587

IUPAC2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine
SMILESC/C=C\C(=C/C)COC1=CC2=C(NCCC)C(CN)CC2C=C1
InChIInChI=1S/C20H30N2O/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/h4,6-9,12,16-17,22H,5,10-11,13-14,21H2,1-3H3/b7-4-,15-6+
InChIKeyPEWNBDPIDFUKOQ-XWBOZUFGSA-N
MW314.47 g/mol
LogP3.83
Rot. Bonds8

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

2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine (PubChem CID 142952587) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine
PubChem CID142952587
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine
SMILESC/C=C\C(=C/C)COC1=CC2=C(NCCC)C(CN)CC2C=C1
InChIInChI=1S/C20H30N2O/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/h4,6-9,12,16-17,22H,5,10-11,13-14,21H2,1-3H3/b7-4-,15-6+
InChIKeyPEWNBDPIDFUKOQ-XWBOZUFGSA-N
XLogP3.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine with MolForge

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Related Compounds

Tetrahydrooxepinoindole
CID 129778299
Hexahydrofuroquinoline
CID 129814664
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
3-(4,5-dimethoxycyclohexa-1,5-dien-1-yl)-3a,4-dihydro-1H-indole
CID 70328464
2-(4-Amino-7-ethoxy-3-ethyl-2-methyl-3a,4-dihydroindol-1-yl)ethanol
CID 129236651
2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 135219146
N-[2-(6-methoxy-3a,4-dihydro-3H-inden-1-yl)ethyl]henicos-1-en-2-amine
CID 137414289
2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene
CID 142952586
6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole
CID 175610469

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?
The IUPAC name of 2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine (CID 142952587) is 2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine.
What is the SMILES notation for 2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine?
The canonical SMILES for 2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine is C/C=C\C(=C/C)COC1=CC2=C(NCCC)C(CN)CC2C=C1.
What is the InChIKey of 2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine?
The InChIKey is PEWNBDPIDFUKOQ-XWBOZUFGSA-N. The full InChI is InChI=1S/C20H30N2O/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/h4,6-9,12,16-17,22H,5,10-11,13-14,21H2,1-3H3/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?
2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine has a molecular weight of 314.47 g/mol, XLogP of 3.83, 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 is sourced from PubChem (CID 142952587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).