N-tert-butyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine

C15H30N2O — CID 114413531

IUPACN-tert-butyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
SMILESCCC(CNC(C)(C)C)N1CC=C(COC)CC1
InChIInChI=1S/C15H30N2O/c1-6-14(11-16-15(2,3)4)17-9-7-13(8-10-17)12-18-5/h7,14,16H,6,8-12H2,1-5H3
InChIKeyXMPDFKGCQLBXID-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.43
Rot. Bonds6

About N-tert-butyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine

N-tert-butyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine (PubChem CID 114413531) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
PubChem CID114413531
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-tert-butyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
SMILESCCC(CNC(C)(C)C)N1CC=C(COC)CC1
InChIInChI=1S/C15H30N2O/c1-6-14(11-16-15(2,3)4)17-9-7-13(8-10-17)12-18-5/h7,14,16H,6,8-12H2,1-5H3
InChIKeyXMPDFKGCQLBXID-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 114413425
N-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 114490704
N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
CID 114413418
N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 62438126
N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine
CID 114413386
N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114412857
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103225263
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-propylpropan-1-amine
CID 114413409
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104921275
N-tert-butyl-2-(2,2-dimethylmorpholin-4-yl)butan-1-amine
CID 62433658
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 114409811
N-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine
CID 63193003

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The IUPAC name of N-tert-butyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine (CID 114413531) is N-tert-butyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The canonical SMILES for N-tert-butyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine is CCC(CNC(C)(C)C)N1CC=C(COC)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The InChIKey is XMPDFKGCQLBXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-14(11-16-15(2,3)4)17-9-7-13(8-10-17)12-18-5/h7,14,16H,6,8-12H2,1-5H3.
What are the key properties of N-tert-butyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
N-tert-butyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine is sourced from PubChem (CID 114413531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).