1-(1H-indol-4-ylmethyl)cyclopropan-1-amine

C12H14N2 — CID 117280504

IUPAC1-(1H-indol-4-ylmethyl)cyclopropan-1-amine
SMILESNC1(Cc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C12H14N2/c13-12(5-6-12)8-9-2-1-3-11-10(9)4-7-14-11/h1-4,7,14H,5-6,8,13H2
InChIKeyAXUXKQVZBFNWEJ-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.20
Rot. Bonds2

About 1-(1H-indol-4-ylmethyl)cyclopropan-1-amine

1-(1H-indol-4-ylmethyl)cyclopropan-1-amine (PubChem CID 117280504) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-(1H-indol-4-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(1H-indol-4-ylmethyl)cyclopropan-1-amine
PubChem CID117280504
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-(1H-indol-4-ylmethyl)cyclopropan-1-amine
SMILESNC1(Cc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C12H14N2/c13-12(5-6-12)8-9-2-1-3-11-10(9)4-7-14-11/h1-4,7,14H,5-6,8,13H2
InChIKeyAXUXKQVZBFNWEJ-UHFFFAOYSA-N
XLogP2.20
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol
CID 117290934
ethane;1H-indol-4-ylmethanamine
CID 144540106
4-(iodomethyl)-1H-indole
CID 143791617
O-(1H-indol-4-ylmethyl)hydroxylamine
CID 117276139
1H-indol-4-ol
CID 102220556
1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 111114552
4-(isocyanomethyl)-1H-indole
CID 83479881
1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine
CID 119110022
N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine
CID 113252690
[1-(1H-indol-4-yl)cyclobutyl]methanamine
CID 82607708
4-(2-methylbut-2-enyl)-1H-indole
CID 141009102
2-[1-[(1H-indol-4-ylmethylamino)methyl]cyclopropyl]ethanol
CID 114750289

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-ylmethyl)cyclopropan-1-amine?
The IUPAC name of 1-(1H-indol-4-ylmethyl)cyclopropan-1-amine (CID 117280504) is 1-(1H-indol-4-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(1H-indol-4-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(1H-indol-4-ylmethyl)cyclopropan-1-amine is NC1(Cc2cccc3[nH]ccc23)CC1.
What is the InChIKey of 1-(1H-indol-4-ylmethyl)cyclopropan-1-amine?
The InChIKey is AXUXKQVZBFNWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-12(5-6-12)8-9-2-1-3-11-10(9)4-7-14-11/h1-4,7,14H,5-6,8,13H2.
What are the key properties of 1-(1H-indol-4-ylmethyl)cyclopropan-1-amine?
1-(1H-indol-4-ylmethyl)cyclopropan-1-amine has a molecular weight of 186.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 117280504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).