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

C13H20N2 — CID 82545739

IUPAC(4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
SMILESCCCN1Cc2c(C)cccc2C1CN
InChIInChI=1S/C13H20N2/c1-3-7-15-9-12-10(2)5-4-6-11(12)13(15)8-14/h4-6,13H,3,7-9,14H2,1-2H3
InChIKeyZWNZFMDVYOTCAL-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.22
Rot. Bonds3

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

(4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 82545739) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID82545739
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
SMILESCCCN1Cc2c(C)cccc2C1CN
InChIInChI=1S/C13H20N2/c1-3-7-15-9-12-10(2)5-4-6-11(12)13(15)8-14/h4-6,13H,3,7-9,14H2,1-2H3
InChIKeyZWNZFMDVYOTCAL-UHFFFAOYSA-N
XLogP2.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82544812
1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol
CID 82545732
[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82545690
(2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545740
(2-hexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82545401
(2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545658
4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol
CID 82545707
(2-pentyl-4-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 110450218
(4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545722
[4-(1-methylpiperidin-4-yl)oxy-2-pentyl-1,3-dihydroisoindol-1-yl]methanamine
CID 110450239
[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82545681
[4-fluoro-2-(4-pyrrolidin-1-ylbutyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545586

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine (CID 82545739) is (4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine is CCCN1Cc2c(C)cccc2C1CN.
What is the InChIKey of (4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is ZWNZFMDVYOTCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-7-15-9-12-10(2)5-4-6-11(12)13(15)8-14/h4-6,13H,3,7-9,14H2,1-2H3.
What are the key properties of (4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine?
(4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 204.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 82545739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).