N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine

C14H24N2O — CID 62292139

IUPACN-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)CCOc1ccnc(CNC(C)C)c1
InChIInChI=1S/C14H24N2O/c1-11(2)6-8-17-14-5-7-15-13(9-14)10-16-12(3)4/h5,7,9,11-12,16H,6,8,10H2,1-4H3
InChIKeyDMDXCCZGPPHSRT-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.00
Rot. Bonds7

About N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine

N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62292139) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID62292139
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)CCOc1ccnc(CNC(C)C)c1
InChIInChI=1S/C14H24N2O/c1-11(2)6-8-17-14-5-7-15-13(9-14)10-16-12(3)4/h5,7,9,11-12,16H,6,8,10H2,1-4H3
InChIKeyDMDXCCZGPPHSRT-UHFFFAOYSA-N
XLogP3.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62290181
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 104566433
N-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62297273
2-chloro-4-(3-methylbutoxy)pyridine
CID 63777400
N-[[4-(3-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62297099
N-[[4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]propan-2-amine
CID 62287531
N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62323756
N-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 62288971
N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62295672
N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296181
N-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 62290861
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104566255

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine (CID 62292139) is N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine is CC(C)CCOc1ccnc(CNC(C)C)c1.
What is the InChIKey of N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is DMDXCCZGPPHSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)6-8-17-14-5-7-15-13(9-14)10-16-12(3)4/h5,7,9,11-12,16H,6,8,10H2,1-4H3.
What are the key properties of N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62292139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).