N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine

C15H28N2O — CID 114413411

IUPACN-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1N1CC=C(COC)CC1
InChIInChI=1S/C15H28N2O/c1-3-8-16-11-14-4-5-15(14)17-9-6-13(7-10-17)12-18-2/h6,14-16H,3-5,7-12H2,1-2H3
InChIKeyDTMNKRYXKVGCBN-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.04
Rot. Bonds7

About N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine

N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine (PubChem CID 114413411) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine
PubChem CID114413411
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1N1CC=C(COC)CC1
InChIInChI=1S/C15H28N2O/c1-3-8-16-11-14-4-5-15(14)17-9-6-13(7-10-17)12-18-2/h6,14-16H,3-5,7-12H2,1-2H3
InChIKeyDTMNKRYXKVGCBN-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 102776256
4-(methoxymethyl)-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]-3,6-dihydro-2H-pyridine
CID 105576215
4-(methoxymethyl)-1-[(2-methylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
CID 106741220
2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine
CID 107473676
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4,4-dimethylpentan-3-amine
CID 113581621
4-(methoxymethyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine
CID 113581627
3-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113581635
N-[4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentyl]cyclopropanamine
CID 113582029
2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpentan-1-amine
CID 113582030
2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-N-propylbutan-1-amine
CID 113582031
N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 113582032
N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutyl]cyclopropanamine
CID 113582036

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine (CID 114413411) is N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine is CCCNCC1CCC1N1CC=C(COC)CC1.
What is the InChIKey of N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine?
The InChIKey is DTMNKRYXKVGCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-8-16-11-14-4-5-15(14)17-9-6-13(7-10-17)12-18-2/h6,14-16H,3-5,7-12H2,1-2H3.
What are the key properties of N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine?
N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 114413411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).