(2-propylisoindol-5-yl)methanamine

C12H16N2 — CID 82504499

IUPAC(2-propylisoindol-5-yl)methanamine
SMILESCCCn1cc2ccc(CN)cc2c1
InChIInChI=1S/C12H16N2/c1-2-5-14-8-11-4-3-10(7-13)6-12(11)9-14/h3-4,6,8-9H,2,5,7,13H2,1H3
InChIKeyNEOXUVVBKQPMCM-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.51
Rot. Bonds3

About (2-propylisoindol-5-yl)methanamine

(2-propylisoindol-5-yl)methanamine (PubChem CID 82504499) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2-propylisoindol-5-yl)methanamine.

Molecular Properties

Compound Name(2-propylisoindol-5-yl)methanamine
PubChem CID82504499
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(2-propylisoindol-5-yl)methanamine
SMILESCCCn1cc2ccc(CN)cc2c1
InChIInChI=1S/C12H16N2/c1-2-5-14-8-11-4-3-10(7-13)6-12(11)9-14/h3-4,6,8-9H,2,5,7,13H2,1H3
InChIKeyNEOXUVVBKQPMCM-UHFFFAOYSA-N
XLogP2.51
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(aminomethyl)naphthalen-2-yl]methanamine
CID 67748708
pentacen-2-ylmethanamine
CID 162482734
N-[6-(aminomethyl)-1-methylindol-2-yl]sulfanylbutan-1-amine
CID 143244178
[5-(aminomethyl)-1-ethylindol-2-yl]methanol
CID 117177076
2-(1-propylpyrrol-3-yl)ethanamine
CID 66405428
[2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine
CID 117176571
[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 65037745
(2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine
CID 82990601
(4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
CID 82339274
(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine
CID 65038224
(2-ethyl-1-benzothiophen-6-yl)methanamine
CID 84663632
(2-ethyl-1-benzofuran-5-yl)methanamine
CID 82411118

Frequently Asked Questions

What is the IUPAC name of (2-propylisoindol-5-yl)methanamine?
The IUPAC name of (2-propylisoindol-5-yl)methanamine (CID 82504499) is (2-propylisoindol-5-yl)methanamine.
What is the SMILES notation for (2-propylisoindol-5-yl)methanamine?
The canonical SMILES for (2-propylisoindol-5-yl)methanamine is CCCn1cc2ccc(CN)cc2c1.
What is the InChIKey of (2-propylisoindol-5-yl)methanamine?
The InChIKey is NEOXUVVBKQPMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-5-14-8-11-4-3-10(7-13)6-12(11)9-14/h3-4,6,8-9H,2,5,7,13H2,1H3.
What are the key properties of (2-propylisoindol-5-yl)methanamine?
(2-propylisoindol-5-yl)methanamine has a molecular weight of 188.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylisoindol-5-yl)methanamine is sourced from PubChem (CID 82504499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).