ethane;1H-indol-4-ylmethanamine

C13H22N2 — CID 144540106

IUPACethane;1H-indol-4-ylmethanamine
SMILESCC.CC.NCc1cccc2[nH]ccc12
InChIInChI=1S/C9H10N2.2C2H6/c10-6-7-2-1-3-9-8(7)4-5-11-9;2*1-2/h1-5,11H,6,10H2;2*1-2H3
InChIKeyGDIKLPHKHNENQX-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.68
Rot. Bonds1

About ethane;1H-indol-4-ylmethanamine

ethane;1H-indol-4-ylmethanamine (PubChem CID 144540106) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;1H-indol-4-ylmethanamine.

Molecular Properties

Compound Nameethane;1H-indol-4-ylmethanamine
PubChem CID144540106
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Nameethane;1H-indol-4-ylmethanamine
SMILESCC.CC.NCc1cccc2[nH]ccc12
InChIInChI=1S/C9H10N2.2C2H6/c10-6-7-2-1-3-9-8(7)4-5-11-9;2*1-2/h1-5,11H,6,10H2;2*1-2H3
InChIKeyGDIKLPHKHNENQX-UHFFFAOYSA-N
XLogP3.68
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(iodomethyl)-1H-indole
CID 143791617
O-(1H-indol-4-ylmethyl)hydroxylamine
CID 117276139
(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
CID 104868036
(4-chloro-1H-indol-5-yl)methanamine
CID 82408682
4-(2-methylbut-2-enyl)-1H-indole
CID 141009102
1-(1H-indol-4-ylmethyl)cyclopropan-1-amine
CID 117280504
1H-indol-4-ol
CID 102220556
4-(isocyanomethyl)-1H-indole
CID 83479881
4-(3-methylbut-3-enyl)-1H-indole
CID 14010474
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
1H-indol-4-amine;hydrochloride
CID 22461572
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116

Frequently Asked Questions

What is the IUPAC name of ethane;1H-indol-4-ylmethanamine?
The IUPAC name of ethane;1H-indol-4-ylmethanamine (CID 144540106) is ethane;1H-indol-4-ylmethanamine.
What is the SMILES notation for ethane;1H-indol-4-ylmethanamine?
The canonical SMILES for ethane;1H-indol-4-ylmethanamine is CC.CC.NCc1cccc2[nH]ccc12.
What is the InChIKey of ethane;1H-indol-4-ylmethanamine?
The InChIKey is GDIKLPHKHNENQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.2C2H6/c10-6-7-2-1-3-9-8(7)4-5-11-9;2*1-2/h1-5,11H,6,10H2;2*1-2H3.
What are the key properties of ethane;1H-indol-4-ylmethanamine?
ethane;1H-indol-4-ylmethanamine has a molecular weight of 206.33 g/mol, XLogP of 3.68, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1H-indol-4-ylmethanamine is sourced from PubChem (CID 144540106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).