N-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine

C13H20N2 — CID 115374920

IUPACN-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(C)c1)C1(C)CC1
InChIInChI=1S/C13H20N2/c1-4-15-12(13(3)5-6-13)11-7-10(2)8-14-9-11/h7-9,12,15H,4-6H2,1-3H3
InChIKeyKIYNKOXCKBPZAV-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.84
Rot. Bonds4

About N-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine

N-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 115374920) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID115374920
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(C)c1)C1(C)CC1
InChIInChI=1S/C13H20N2/c1-4-15-12(13(3)5-6-13)11-7-10(2)8-14-9-11/h7-9,12,15H,4-6H2,1-3H3
InChIKeyKIYNKOXCKBPZAV-UHFFFAOYSA-N
XLogP2.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 115374513
N-[(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113432853
N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116763272
N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116764137
N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023254
(1-methylcyclopentyl)-(5-methyl-3-pyridinyl)methanamine
CID 105022796
N-[(5-methyl-3-pyridinyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 105155164
N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374632
(1-methylcyclohexyl)-(5-methyl-3-pyridinyl)methanamine
CID 106830463
N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine
CID 105022970
2-cyclopropyl-N-ethyl-1-(5-methyl-3-pyridinyl)propan-1-amine
CID 105022949
N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine
CID 115374427

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine (CID 115374920) is N-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1cncc(C)c1)C1(C)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is KIYNKOXCKBPZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-15-12(13(3)5-6-13)11-7-10(2)8-14-9-11/h7-9,12,15H,4-6H2,1-3H3.
What are the key properties of N-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
N-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 204.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 115374920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).