ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine

C14H20N2 — CID 159069082

IUPACethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine
SMILESCC.NCC1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C12H14N2.C2H6/c13-8-12(5-6-12)10-7-14-11-4-2-1-3-9(10)11;1-2/h1-4,7,14H,5-6,8,13H2;1-2H3
InChIKeyJZKPJSAGDYWUPD-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.18
Rot. Bonds2

About ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine

ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine (PubChem CID 159069082) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Nameethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine
PubChem CID159069082
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Nameethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine
SMILESCC.NCC1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C12H14N2.C2H6/c13-8-12(5-6-12)10-7-14-11-4-2-1-3-9(10)11;1-2/h1-4,7,14H,5-6,8,13H2;1-2H3
InChIKeyJZKPJSAGDYWUPD-UHFFFAOYSA-N
XLogP3.18
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(6-methyl-1H-indol-3-yl)cyclopentyl]methanamine
CID 82494852
[1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine
CID 82501566
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
CID 113084659
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide
CID 113084663
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113084670
[1-(1H-indol-4-yl)cyclobutyl]methanamine
CID 82607708
[1-(1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278323
[1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine
CID 95432584
[1-(7-ethyl-1H-indol-3-yl)cyclohexyl]methanamine
CID 82278267
[1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine
CID 82496496
[1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol
CID 116842664
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide
CID 113084830

Frequently Asked Questions

What is the IUPAC name of ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine?
The IUPAC name of ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine (CID 159069082) is ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine.
What is the SMILES notation for ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine?
The canonical SMILES for ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine is CC.NCC1(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine?
The InChIKey is JZKPJSAGDYWUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C2H6/c13-8-12(5-6-12)10-7-14-11-4-2-1-3-9(10)11;1-2/h1-4,7,14H,5-6,8,13H2;1-2H3.
What are the key properties of ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine?
ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine has a molecular weight of 216.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine is sourced from PubChem (CID 159069082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).