N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine

C14H16N2 — CID 106220402

IUPACN-(1H-indol-5-ylmethyl)pent-4-yn-1-amine
SMILESC#CCCCNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N2/c1-2-3-4-8-15-11-12-5-6-14-13(10-12)7-9-16-14/h1,5-7,9-10,15-16H,3-4,8,11H2
InChIKeyNYFSHQXRXRHIAZ-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.67
Rot. Bonds5

About N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine

N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine (PubChem CID 106220402) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)pent-4-yn-1-amine
PubChem CID106220402
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC NameN-(1H-indol-5-ylmethyl)pent-4-yn-1-amine
SMILESC#CCCCNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N2/c1-2-3-4-8-15-11-12-5-6-14-13(10-12)7-9-16-14/h1,5-7,9-10,15-16H,3-4,8,11H2
InChIKeyNYFSHQXRXRHIAZ-UHFFFAOYSA-N
XLogP2.67
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-5-ylmethyl)but-2-yn-1-amine
CID 102911910
3-(1H-imidazol-2-yl)-N-(1H-indol-5-ylmethyl)propan-1-amine
CID 102912104
N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 102911394
N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine
CID 102911874
N-(1H-indol-5-ylmethyl)prop-2-en-1-amine
CID 53274484
1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 17221800
N-(1H-indol-6-ylmethyl)butan-1-amine
CID 63749151
4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde
CID 178072305
1-(1H-indol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114107229
N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine
CID 102912150
3-(furan-2-ylmethoxy)-N-(1H-indol-5-ylmethyl)propan-1-amine
CID 102909348
5-pent-4-ynoxy-1H-indole
CID 112548784

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine?
The IUPAC name of N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine (CID 106220402) is N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine is C#CCCCNCc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine?
The InChIKey is NYFSHQXRXRHIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-3-4-8-15-11-12-5-6-14-13(10-12)7-9-16-14/h1,5-7,9-10,15-16H,3-4,8,11H2.
What are the key properties of N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine?
N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine has a molecular weight of 212.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine is sourced from PubChem (CID 106220402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).