(2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine

C13H18N2 — CID 82545740

IUPAC(2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine
SMILESCc1cccc2c1CN(C1CC1)C2CN
InChIInChI=1S/C13H18N2/c1-9-3-2-4-11-12(9)8-15(10-5-6-10)13(11)7-14/h2-4,10,13H,5-8,14H2,1H3
InChIKeyTWQRWQLFSXKSQQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.97
Rot. Bonds2

About (2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine

(2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 82545740) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID82545740
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine
SMILESCc1cccc2c1CN(C1CC1)C2CN
InChIInChI=1S/C13H18N2/c1-9-3-2-4-11-12(9)8-15(10-5-6-10)13(11)7-14/h2-4,10,13H,5-8,14H2,1H3
InChIKeyTWQRWQLFSXKSQQ-UHFFFAOYSA-N
XLogP1.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82545681
(4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545204
4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol
CID 82545163
(2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545619
(4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545739
4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol
CID 82545707
(2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine
CID 82544746
1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol
CID 82545732
(4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545722
[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82545690
(2-cyclopropyl-4,5,6-trifluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82544719
(2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545575

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine (CID 82545740) is (2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine is Cc1cccc2c1CN(C1CC1)C2CN.
What is the InChIKey of (2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is TWQRWQLFSXKSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-3-2-4-11-12(9)8-15(10-5-6-10)13(11)7-14/h2-4,10,13H,5-8,14H2,1H3.
What are the key properties of (2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine?
(2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 202.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 82545740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).