N-(1H-indol-7-ylmethyl)hex-5-yn-1-amine

C15H18N2 — CID 103757748

IUPACN-(1H-indol-7-ylmethyl)hex-5-yn-1-amine
SMILESC#CCCCCNCc1cccc2cc[nH]c12
InChIInChI=1S/C15H18N2/c1-2-3-4-5-10-16-12-14-8-6-7-13-9-11-17-15(13)14/h1,6-9,11,16-17H,3-5,10,12H2
InChIKeyARDVSHDSJKSIGR-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.06
Rot. Bonds6

About N-(1H-indol-7-ylmethyl)hex-5-yn-1-amine

N-(1H-indol-7-ylmethyl)hex-5-yn-1-amine (PubChem CID 103757748) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(1H-indol-7-ylmethyl)hex-5-yn-1-amine.

Molecular Properties

Compound NameN-(1H-indol-7-ylmethyl)hex-5-yn-1-amine
PubChem CID103757748
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-(1H-indol-7-ylmethyl)hex-5-yn-1-amine
SMILESC#CCCCCNCc1cccc2cc[nH]c12
InChIInChI=1S/C15H18N2/c1-2-3-4-5-10-16-12-14-8-6-7-13-9-11-17-15(13)14/h1,6-9,11,16-17H,3-5,10,12H2
InChIKeyARDVSHDSJKSIGR-UHFFFAOYSA-N
XLogP3.06
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.06
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-7-ylmethyl)-5-methylhexan-1-amine
CID 113240682
N-[(2,3-dichlorophenyl)methyl]hex-5-yn-1-amine
CID 115694161
N-(1H-indol-7-ylmethyl)-2-methylsulfanylethanamine;hydrochloride
CID 115606849
2-butoxy-N-(1H-indol-7-ylmethyl)ethanamine
CID 113230724
1-[(1H-indol-7-ylmethylamino)methyl]cyclopentan-1-ol
CID 113234393
2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine
CID 103748737
(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol
CID 96903920
2-(1H-indol-7-ylmethylamino)propane-1,3-diol
CID 115655450
N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine
CID 114202006
N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine
CID 106220402
N-(1H-indol-7-ylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 113243504
2-(1H-indol-7-ylmethylamino)-N-methylacetamide
CID 103640761

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-7-ylmethyl)hex-5-yn-1-amine?
The IUPAC name of N-(1H-indol-7-ylmethyl)hex-5-yn-1-amine (CID 103757748) is N-(1H-indol-7-ylmethyl)hex-5-yn-1-amine.
What is the SMILES notation for N-(1H-indol-7-ylmethyl)hex-5-yn-1-amine?
The canonical SMILES for N-(1H-indol-7-ylmethyl)hex-5-yn-1-amine is C#CCCCCNCc1cccc2cc[nH]c12.
What is the InChIKey of N-(1H-indol-7-ylmethyl)hex-5-yn-1-amine?
The InChIKey is ARDVSHDSJKSIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-3-4-5-10-16-12-14-8-6-7-13-9-11-17-15(13)14/h1,6-9,11,16-17H,3-5,10,12H2.
What are the key properties of N-(1H-indol-7-ylmethyl)hex-5-yn-1-amine?
N-(1H-indol-7-ylmethyl)hex-5-yn-1-amine has a molecular weight of 226.32 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-7-ylmethyl)hex-5-yn-1-amine is sourced from PubChem (CID 103757748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).