N-prop-2-ynyl-1H-indol-3-amine

C11H10N2 — CID 57486159

IUPACN-prop-2-ynyl-1H-indol-3-amine
SMILESC#CCNc1c[nH]c2ccccc12
InChIInChI=1S/C11H10N2/c1-2-7-12-11-8-13-10-6-4-3-5-9(10)11/h1,3-6,8,12-13H,7H2
InChIKeyZSCRDJCBBNXSDL-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.21
Rot. Bonds2

About N-prop-2-ynyl-1H-indol-3-amine

N-prop-2-ynyl-1H-indol-3-amine (PubChem CID 57486159) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-prop-2-ynyl-1H-indol-3-amine.

Molecular Properties

Compound NameN-prop-2-ynyl-1H-indol-3-amine
PubChem CID57486159
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC NameN-prop-2-ynyl-1H-indol-3-amine
SMILESC#CCNc1c[nH]c2ccccc12
InChIInChI=1S/C11H10N2/c1-2-7-12-11-8-13-10-6-4-3-5-9(10)11/h1,3-6,8,12-13H,7H2
InChIKeyZSCRDJCBBNXSDL-UHFFFAOYSA-N
XLogP2.21
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.21
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-ethyl-1H-indol-3-amine
CID 22497863
N'-(1H-indol-3-yl)methanediamine
CID 115225408
N'-(1H-indol-3-yl)-N-methylethane-1,2-diamine
CID 115195726
N'-(1H-indol-3-yl)-N-methylbutane-1,4-diamine
CID 115201685
N-(2-methylbutyl)-1H-indol-3-amine
CID 175206983
1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine
CID 115200367
N-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 115206245
1-N-(1H-indol-3-yl)butane-1,3-diamine
CID 115199018
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
N'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252326
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-indol-3-amine
CID 115244510
N-(azetidin-3-ylmethyl)-1H-indol-3-amine
CID 115207247

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-1H-indol-3-amine?
The IUPAC name of N-prop-2-ynyl-1H-indol-3-amine (CID 57486159) is N-prop-2-ynyl-1H-indol-3-amine.
What is the SMILES notation for N-prop-2-ynyl-1H-indol-3-amine?
The canonical SMILES for N-prop-2-ynyl-1H-indol-3-amine is C#CCNc1c[nH]c2ccccc12.
What is the InChIKey of N-prop-2-ynyl-1H-indol-3-amine?
The InChIKey is ZSCRDJCBBNXSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-7-12-11-8-13-10-6-4-3-5-9(10)11/h1,3-6,8,12-13H,7H2.
What are the key properties of N-prop-2-ynyl-1H-indol-3-amine?
N-prop-2-ynyl-1H-indol-3-amine has a molecular weight of 170.21 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-1H-indol-3-amine is sourced from PubChem (CID 57486159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).