2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine

C17H22N2 — CID 60664517

IUPAC2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine
SMILESC1=C(CCNCc2c[nH]c3ccccc23)CCCC1
InChIInChI=1S/C17H22N2/c1-2-6-14(7-3-1)10-11-18-12-15-13-19-17-9-5-4-8-16(15)17/h4-6,8-9,13,18-19H,1-3,7,10-12H2
InChIKeyURJIHFKWNXGKET-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.15
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine

2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine (PubChem CID 60664517) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine
PubChem CID60664517
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine
SMILESC1=C(CCNCc2c[nH]c3ccccc23)CCCC1
InChIInChI=1S/C17H22N2/c1-2-6-14(7-3-1)10-11-18-12-15-13-19-17-9-5-4-8-16(15)17/h4-6,8-9,13,18-19H,1-3,7,10-12H2
InChIKeyURJIHFKWNXGKET-UHFFFAOYSA-N
XLogP4.15
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.15
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

2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 17206520
2-(cyclopenten-1-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 114153186
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113053059
2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 17210199
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzene-1,3-diol
CID 28620790
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960087
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
CID 7958610
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 60691473
2-[2-(cyclohexen-1-yl)ethylamino]-2-(1H-indol-3-yl)acetic acid
CID 84748341
N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine
CID 62324302

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine (CID 60664517) is 2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine is C1=C(CCNCc2c[nH]c3ccccc23)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine?
The InChIKey is URJIHFKWNXGKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-6-14(7-3-1)10-11-18-12-15-13-19-17-9-5-4-8-16(15)17/h4-6,8-9,13,18-19H,1-3,7,10-12H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine?
2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine has a molecular weight of 254.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine is sourced from PubChem (CID 60664517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).