N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine

C14H24N2O — CID 59334325

IUPACN-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCN(CCCOC(C)(C)C)Cc1ccccn1
InChIInChI=1S/C14H24N2O/c1-14(2,3)17-11-7-10-16(4)12-13-8-5-6-9-15-13/h5-6,8-9H,7,10-12H2,1-4H3
InChIKeyXLTDSWMQQKPLFP-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.72
Rot. Bonds6

About N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine

N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine (PubChem CID 59334325) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine
PubChem CID59334325
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCN(CCCOC(C)(C)C)Cc1ccccn1
InChIInChI=1S/C14H24N2O/c1-14(2,3)17-11-7-10-16(4)12-13-8-5-6-9-15-13/h5-6,8-9H,7,10-12H2,1-4H3
InChIKeyXLTDSWMQQKPLFP-UHFFFAOYSA-N
XLogP2.72
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline
CID 43564653
N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)pentane-1,5-diamine
CID 65254292
2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol
CID 79360655
6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801322
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
6-[methyl(pyridin-2-ylmethyl)amino]hexan-2-one
CID 62051224
diethyl 2-methyl-2-[4-[methyl(pyridin-2-ylmethyl)amino]butyl]propanedioate
CID 10545816
4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
CID 43565021
2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol
CID 91261751
4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 62050830
1-N,2-N,2-trimethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 62846215

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine (CID 59334325) is N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine is CN(CCCOC(C)(C)C)Cc1ccccn1.
What is the InChIKey of N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine?
The InChIKey is XLTDSWMQQKPLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,3)17-11-7-10-16(4)12-13-8-5-6-9-15-13/h5-6,8-9H,7,10-12H2,1-4H3.
What are the key properties of N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine?
N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 59334325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).