N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine

C15H18N2 — CID 114202006

IUPACN-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine
SMILESC#CC(NCc1cccc2cc[nH]c12)C(C)C
InChIInChI=1S/C15H18N2/c1-4-14(11(2)3)17-10-13-7-5-6-12-8-9-16-15(12)13/h1,5-9,11,14,16-17H,10H2,2-3H3
InChIKeyCTFSDJXTCVNNIV-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.92
Rot. Bonds4

About N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine

N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine (PubChem CID 114202006) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine.

Molecular Properties

Compound NameN-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine
PubChem CID114202006
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine
SMILESC#CC(NCc1cccc2cc[nH]c12)C(C)C
InChIInChI=1S/C15H18N2/c1-4-14(11(2)3)17-10-13-7-5-6-12-8-9-16-15(12)13/h1,5-9,11,14,16-17H,10H2,2-3H3
InChIKeyCTFSDJXTCVNNIV-UHFFFAOYSA-N
XLogP2.92
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.92
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

N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine
CID 113234819
3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol
CID 103701053
2-(1H-indol-7-ylmethylamino)propane-1,3-diol
CID 115655450
(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol
CID 96903920
N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride
CID 115606795
(1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine
CID 103880973
(1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 102911524
N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
CID 113240682
2-(1H-indol-7-ylmethylamino)-N-methylacetamide
CID 103640761
N-(1H-indol-7-ylmethyl)hex-5-yn-1-amine
CID 103757748
(3S)-3-cyclopropyl-3-(1H-indol-7-ylmethylamino)propanoic acid
CID 166263969
7-(4-methylpentyl)-1H-indole
CID 177208716

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine?
The IUPAC name of N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine (CID 114202006) is N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine.
What is the SMILES notation for N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine?
The canonical SMILES for N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine is C#CC(NCc1cccc2cc[nH]c12)C(C)C.
What is the InChIKey of N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine?
The InChIKey is CTFSDJXTCVNNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-4-14(11(2)3)17-10-13-7-5-6-12-8-9-16-15(12)13/h1,5-9,11,14,16-17H,10H2,2-3H3.
What are the key properties of N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine?
N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine has a molecular weight of 226.32 g/mol, XLogP of 2.92, 4 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)-4-methylpent-1-yn-3-amine is sourced from PubChem (CID 114202006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).