N'-(1H-indol-3-yl)methanediamine

C9H11N3 — CID 115225408

IUPACN'-(1H-indol-3-yl)methanediamine
SMILESNCNc1c[nH]c2ccccc12
InChIInChI=1S/C9H11N3/c10-6-12-9-5-11-8-4-2-1-3-7(8)9/h1-5,11-12H,6,10H2
InChIKeyMRGKIUZXBQSCII-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.50
Rot. Bonds2

About N'-(1H-indol-3-yl)methanediamine

N'-(1H-indol-3-yl)methanediamine (PubChem CID 115225408) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is N'-(1H-indol-3-yl)methanediamine.

Molecular Properties

Compound NameN'-(1H-indol-3-yl)methanediamine
PubChem CID115225408
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC NameN'-(1H-indol-3-yl)methanediamine
SMILESNCNc1c[nH]c2ccccc12
InChIInChI=1S/C9H11N3/c10-6-12-9-5-11-8-4-2-1-3-7(8)9/h1-5,11-12H,6,10H2
InChIKeyMRGKIUZXBQSCII-UHFFFAOYSA-N
XLogP1.50
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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
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
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-(azetidin-3-ylmethyl)-1H-indol-3-amine
CID 115207247
N-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 115206245
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-indol-3-amine
CID 115244510

Frequently Asked Questions

What is the IUPAC name of N'-(1H-indol-3-yl)methanediamine?
The IUPAC name of N'-(1H-indol-3-yl)methanediamine (CID 115225408) is N'-(1H-indol-3-yl)methanediamine.
What is the SMILES notation for N'-(1H-indol-3-yl)methanediamine?
The canonical SMILES for N'-(1H-indol-3-yl)methanediamine is NCNc1c[nH]c2ccccc12.
What is the InChIKey of N'-(1H-indol-3-yl)methanediamine?
The InChIKey is MRGKIUZXBQSCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c10-6-12-9-5-11-8-4-2-1-3-7(8)9/h1-5,11-12H,6,10H2.
What are the key properties of N'-(1H-indol-3-yl)methanediamine?
N'-(1H-indol-3-yl)methanediamine has a molecular weight of 161.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-indol-3-yl)methanediamine is sourced from PubChem (CID 115225408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).