N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine

C17H28N2O — CID 66025589

IUPACN-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCOc1c(C)cnc(CC2(CNCC(C)C)CC2)c1C
InChIInChI=1S/C17H28N2O/c1-12(2)9-18-11-17(6-7-17)8-15-14(4)16(20-5)13(3)10-19-15/h10,12,18H,6-9,11H2,1-5H3
InChIKeyLJRUMWSHKWEWCG-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.28
Rot. Bonds7

About N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine

N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 66025589) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID66025589
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCOc1c(C)cnc(CC2(CNCC(C)C)CC2)c1C
InChIInChI=1S/C17H28N2O/c1-12(2)9-18-11-17(6-7-17)8-15-14(4)16(20-5)13(3)10-19-15/h10,12,18H,6-9,11H2,1-5H3
InChIKeyLJRUMWSHKWEWCG-UHFFFAOYSA-N
XLogP3.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine
CID 65194645
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724590
4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81012549
1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62906948
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine
CID 103969062
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 66058388
2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
CID 102698009
3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 62531087
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 65142759
3-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 65025177
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid
CID 66024192
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentan-3-amine
CID 54954917

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine (CID 66025589) is N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine is COc1c(C)cnc(CC2(CNCC(C)C)CC2)c1C.
What is the InChIKey of N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is LJRUMWSHKWEWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)9-18-11-17(6-7-17)8-15-14(4)16(20-5)13(3)10-19-15/h10,12,18H,6-9,11H2,1-5H3.
What are the key properties of N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66025589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).