N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine

C17H31N3O — CID 115505738

IUPACN-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnccc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C17H31N3O/c1-13(2)19-12-16-11-18-8-7-17(16)21-10-9-20(14(3)4)15(5)6/h7-8,11,13-15,19H,9-10,12H2,1-6H3
InChIKeyHZUOCUVYVWUFLN-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.08
Rot. Bonds9

About N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine

N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine (PubChem CID 115505738) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine
PubChem CID115505738
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnccc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C17H31N3O/c1-13(2)19-12-16-11-18-8-7-17(16)21-10-9-20(14(3)4)15(5)6/h7-8,11,13-15,19H,9-10,12H2,1-6H3
InChIKeyHZUOCUVYVWUFLN-UHFFFAOYSA-N
XLogP3.08
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 115505732
N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine
CID 81254870
N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 81251005
N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine
CID 105075109
3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 81254203
N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250914
N-methyl-1-(4-propoxy-3-pyridinyl)methanamine
CID 81255157
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine
CID 60892832
N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250377
N-[[5-[2-[di(propan-2-yl)amino]ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 115505764
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247407

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine (CID 115505738) is N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cnccc1OCCN(C(C)C)C(C)C.
What is the InChIKey of N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is HZUOCUVYVWUFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13(2)19-12-16-11-18-8-7-17(16)21-10-9-20(14(3)4)15(5)6/h7-8,11,13-15,19H,9-10,12H2,1-6H3.
What are the key properties of N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine?
N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 115505738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).