N-(1H-indol-4-ylmethyl)pent-1-yn-3-amine

C14H16N2 — CID 106224730

IUPACN-(1H-indol-4-ylmethyl)pent-1-yn-3-amine
SMILESC#CC(CC)NCc1cccc2[nH]ccc12
InChIInChI=1S/C14H16N2/c1-3-12(4-2)16-10-11-6-5-7-14-13(11)8-9-15-14/h1,5-9,12,15-16H,4,10H2,2H3
InChIKeyYNPCKFNKOGWWSE-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.67
Rot. Bonds4

About N-(1H-indol-4-ylmethyl)pent-1-yn-3-amine

N-(1H-indol-4-ylmethyl)pent-1-yn-3-amine (PubChem CID 106224730) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)pent-1-yn-3-amine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)pent-1-yn-3-amine
PubChem CID106224730
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC NameN-(1H-indol-4-ylmethyl)pent-1-yn-3-amine
SMILESC#CC(CC)NCc1cccc2[nH]ccc12
InChIInChI=1S/C14H16N2/c1-3-12(4-2)16-10-11-6-5-7-14-13(11)8-9-15-14/h1,5-9,12,15-16H,4,10H2,2H3
InChIKeyYNPCKFNKOGWWSE-UHFFFAOYSA-N
XLogP2.67
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
CID 104868036
3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
(1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81373106
1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 119125336
N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine
CID 63001738
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
N-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine
CID 106224711
N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 62999754
(1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81367023
N-(1H-indol-4-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 63001401
2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine
CID 103702107

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)pent-1-yn-3-amine?
The IUPAC name of N-(1H-indol-4-ylmethyl)pent-1-yn-3-amine (CID 106224730) is N-(1H-indol-4-ylmethyl)pent-1-yn-3-amine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)pent-1-yn-3-amine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)pent-1-yn-3-amine is C#CC(CC)NCc1cccc2[nH]ccc12.
What is the InChIKey of N-(1H-indol-4-ylmethyl)pent-1-yn-3-amine?
The InChIKey is YNPCKFNKOGWWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-3-12(4-2)16-10-11-6-5-7-14-13(11)8-9-15-14/h1,5-9,12,15-16H,4,10H2,2H3.
What are the key properties of N-(1H-indol-4-ylmethyl)pent-1-yn-3-amine?
N-(1H-indol-4-ylmethyl)pent-1-yn-3-amine has a molecular weight of 212.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)pent-1-yn-3-amine is sourced from PubChem (CID 106224730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).