N-[(3-methyl-3,4-dihydropyridin-4-yl)methyl]propan-2-amine

C10H18N2 — CID 166750546

IUPACN-[(3-methyl-3,4-dihydropyridin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCC1C=CN=CC1C
InChIInChI=1S/C10H18N2/c1-8(2)12-7-10-4-5-11-6-9(10)3/h4-6,8-10,12H,7H2,1-3H3
InChIKeyLYAFAMYEWQKTAT-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.83
Rot. Bonds3

About N-[(3-methyl-3,4-dihydropyridin-4-yl)methyl]propan-2-amine

N-[(3-methyl-3,4-dihydropyridin-4-yl)methyl]propan-2-amine (PubChem CID 166750546) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-[(3-methyl-3,4-dihydropyridin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-methyl-3,4-dihydropyridin-4-yl)methyl]propan-2-amine
PubChem CID166750546
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-[(3-methyl-3,4-dihydropyridin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCC1C=CN=CC1C
InChIInChI=1S/C10H18N2/c1-8(2)12-7-10-4-5-11-6-9(10)3/h4-6,8-10,12H,7H2,1-3H3
InChIKeyLYAFAMYEWQKTAT-UHFFFAOYSA-N
XLogP1.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-3,4-dihydropyridin-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-methyl-3,4-dihydropyridin-4-yl)methyl]propan-2-amine (CID 166750546) is N-[(3-methyl-3,4-dihydropyridin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-methyl-3,4-dihydropyridin-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-methyl-3,4-dihydropyridin-4-yl)methyl]propan-2-amine is CC(C)NCC1C=CN=CC1C.
What is the InChIKey of N-[(3-methyl-3,4-dihydropyridin-4-yl)methyl]propan-2-amine?
The InChIKey is LYAFAMYEWQKTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)12-7-10-4-5-11-6-9(10)3/h4-6,8-10,12H,7H2,1-3H3.
What are the key properties of N-[(3-methyl-3,4-dihydropyridin-4-yl)methyl]propan-2-amine?
N-[(3-methyl-3,4-dihydropyridin-4-yl)methyl]propan-2-amine has a molecular weight of 166.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-3,4-dihydropyridin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 166750546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).