(2Z)-N-[2-(1H-indol-3-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine

C20H28N2 — CID 92525977

IUPAC(2Z)-N-[2-(1H-indol-3-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
SMILESCC(C)=CCC/C(C)=C\CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H28N2/c1-16(2)7-6-8-17(3)11-13-21-14-12-18-15-22-20-10-5-4-9-19(18)20/h4-5,7,9-11,15,21-22H,6,8,12-14H2,1-3H3/b17-11-
InChIKeyYENZYGJEKHJGEY-BOPFTXTBSA-N
MW296.46 g/mol
LogP4.99
Rot. Bonds8

About (2Z)-N-[2-(1H-indol-3-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine

(2Z)-N-[2-(1H-indol-3-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine (PubChem CID 92525977) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is (2Z)-N-[2-(1H-indol-3-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2Z)-N-[2-(1H-indol-3-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
PubChem CID92525977
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name(2Z)-N-[2-(1H-indol-3-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
SMILESCC(C)=CCC/C(C)=C\CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H28N2/c1-16(2)7-6-8-17(3)11-13-21-14-12-18-15-22-20-10-5-4-9-19(18)20/h4-5,7,9-11,15,21-22H,6,8,12-14H2,1-3H3/b17-11-
InChIKeyYENZYGJEKHJGEY-BOPFTXTBSA-N
XLogP4.99
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide
CID 70154649
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
(E)-but-2-enedioic acid;bis(N-ethyl-2-(1H-indol-3-yl)ethanamine)
CID 172871952
(E)-4-[2-(1H-indol-3-yl)ethylamino]-4-phenylbut-3-en-2-one
CID 11833647
5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
CID 82118518
(E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine
CID 118478788
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 67232901
N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine
CID 43202427
[2-(1H-indol-3-yl)ethylamino] acetate
CID 19864349
5-(1H-indol-3-yl)-2-methylpent-2-enoic acid
CID 91332063
N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine
CID 82089991

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[2-(1H-indol-3-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
The IUPAC name of (2Z)-N-[2-(1H-indol-3-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine (CID 92525977) is (2Z)-N-[2-(1H-indol-3-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine.
What is the SMILES notation for (2Z)-N-[2-(1H-indol-3-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
The canonical SMILES for (2Z)-N-[2-(1H-indol-3-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine is CC(C)=CCC/C(C)=C\CNCCc1c[nH]c2ccccc12.
What is the InChIKey of (2Z)-N-[2-(1H-indol-3-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
The InChIKey is YENZYGJEKHJGEY-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H28N2/c1-16(2)7-6-8-17(3)11-13-21-14-12-18-15-22-20-10-5-4-9-19(18)20/h4-5,7,9-11,15,21-22H,6,8,12-14H2,1-3H3/b17-11-.
What are the key properties of (2Z)-N-[2-(1H-indol-3-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
(2Z)-N-[2-(1H-indol-3-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine has a molecular weight of 296.46 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[2-(1H-indol-3-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine is sourced from PubChem (CID 92525977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).