cyclopropyl-(6-propan-2-yl-2,3-dihydropyridin-3-yl)methanamine

C12H20N2 — CID 155232086

IUPACcyclopropyl-(6-propan-2-yl-2,3-dihydropyridin-3-yl)methanamine
SMILESCC(C)C1=NCC(C(N)C2CC2)C=C1
InChIInChI=1S/C12H20N2/c1-8(2)11-6-5-10(7-14-11)12(13)9-3-4-9/h5-6,8-10,12H,3-4,7,13H2,1-2H3
InChIKeyIWTWJIOAVHNFNN-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.01
Rot. Bonds3

About cyclopropyl-(6-propan-2-yl-2,3-dihydropyridin-3-yl)methanamine

cyclopropyl-(6-propan-2-yl-2,3-dihydropyridin-3-yl)methanamine (PubChem CID 155232086) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is cyclopropyl-(6-propan-2-yl-2,3-dihydropyridin-3-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(6-propan-2-yl-2,3-dihydropyridin-3-yl)methanamine
PubChem CID155232086
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Namecyclopropyl-(6-propan-2-yl-2,3-dihydropyridin-3-yl)methanamine
SMILESCC(C)C1=NCC(C(N)C2CC2)C=C1
InChIInChI=1S/C12H20N2/c1-8(2)11-6-5-10(7-14-11)12(13)9-3-4-9/h5-6,8-10,12H,3-4,7,13H2,1-2H3
InChIKeyIWTWJIOAVHNFNN-UHFFFAOYSA-N
XLogP2.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(6-propan-2-yl-2,3-dihydropyridin-3-yl)methanamine?
The IUPAC name of cyclopropyl-(6-propan-2-yl-2,3-dihydropyridin-3-yl)methanamine (CID 155232086) is cyclopropyl-(6-propan-2-yl-2,3-dihydropyridin-3-yl)methanamine.
What is the SMILES notation for cyclopropyl-(6-propan-2-yl-2,3-dihydropyridin-3-yl)methanamine?
The canonical SMILES for cyclopropyl-(6-propan-2-yl-2,3-dihydropyridin-3-yl)methanamine is CC(C)C1=NCC(C(N)C2CC2)C=C1.
What is the InChIKey of cyclopropyl-(6-propan-2-yl-2,3-dihydropyridin-3-yl)methanamine?
The InChIKey is IWTWJIOAVHNFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-8(2)11-6-5-10(7-14-11)12(13)9-3-4-9/h5-6,8-10,12H,3-4,7,13H2,1-2H3.
What are the key properties of cyclopropyl-(6-propan-2-yl-2,3-dihydropyridin-3-yl)methanamine?
cyclopropyl-(6-propan-2-yl-2,3-dihydropyridin-3-yl)methanamine has a molecular weight of 192.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(6-propan-2-yl-2,3-dihydropyridin-3-yl)methanamine is sourced from PubChem (CID 155232086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).