N-(azetidin-3-ylmethyl)-1H-indol-3-amine

C12H15N3 — CID 115207247

IUPACN-(azetidin-3-ylmethyl)-1H-indol-3-amine
SMILESc1ccc2c(NCC3CNC3)c[nH]c2c1
InChIInChI=1S/C12H15N3/c1-2-4-11-10(3-1)12(8-15-11)14-7-9-5-13-6-9/h1-4,8-9,13-15H,5-7H2
InChIKeyOJLZQYQRMJZXMT-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.80
Rot. Bonds3

About N-(azetidin-3-ylmethyl)-1H-indol-3-amine

N-(azetidin-3-ylmethyl)-1H-indol-3-amine (PubChem CID 115207247) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-1H-indol-3-amine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-1H-indol-3-amine
PubChem CID115207247
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-(azetidin-3-ylmethyl)-1H-indol-3-amine
SMILESc1ccc2c(NCC3CNC3)c[nH]c2c1
InChIInChI=1S/C12H15N3/c1-2-4-11-10(3-1)12(8-15-11)14-7-9-5-13-6-9/h1-4,8-9,13-15H,5-7H2
InChIKeyOJLZQYQRMJZXMT-UHFFFAOYSA-N
XLogP1.80
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(1H-indol-3-yl)methanediamine
CID 115225408
N-ethyl-1H-indol-3-amine
CID 22497863
N'-(1H-indol-3-yl)-N-methylethane-1,2-diamine
CID 115195726
N-prop-2-ynyl-1H-indol-3-amine
CID 57486159
1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine
CID 115200367
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-indol-3-amine
CID 115244510
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
N'-(1H-indol-3-yl)-N-methylbutane-1,4-diamine
CID 115201685
N-(2-methylbutyl)-1H-indol-3-amine
CID 175206983
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'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252326

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-1H-indol-3-amine?
The IUPAC name of N-(azetidin-3-ylmethyl)-1H-indol-3-amine (CID 115207247) is N-(azetidin-3-ylmethyl)-1H-indol-3-amine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-1H-indol-3-amine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-1H-indol-3-amine is c1ccc2c(NCC3CNC3)c[nH]c2c1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-1H-indol-3-amine?
The InChIKey is OJLZQYQRMJZXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-4-11-10(3-1)12(8-15-11)14-7-9-5-13-6-9/h1-4,8-9,13-15H,5-7H2.
What are the key properties of N-(azetidin-3-ylmethyl)-1H-indol-3-amine?
N-(azetidin-3-ylmethyl)-1H-indol-3-amine has a molecular weight of 201.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-1H-indol-3-amine is sourced from PubChem (CID 115207247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).