3-propan-2-yloxy-N-propyl-1-pyridin-4-ylpropan-1-amine

C14H24N2O — CID 115001910

IUPAC3-propan-2-yloxy-N-propyl-1-pyridin-4-ylpropan-1-amine
SMILESCCCNC(CCOC(C)C)c1ccncc1
InChIInChI=1S/C14H24N2O/c1-4-8-16-14(7-11-17-12(2)3)13-5-9-15-10-6-13/h5-6,9-10,12,14,16H,4,7-8,11H2,1-3H3
InChIKeyRXRKSANZDUNILC-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.94
Rot. Bonds8

About 3-propan-2-yloxy-N-propyl-1-pyridin-4-ylpropan-1-amine

3-propan-2-yloxy-N-propyl-1-pyridin-4-ylpropan-1-amine (PubChem CID 115001910) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-propyl-1-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-propyl-1-pyridin-4-ylpropan-1-amine
PubChem CID115001910
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-propan-2-yloxy-N-propyl-1-pyridin-4-ylpropan-1-amine
SMILESCCCNC(CCOC(C)C)c1ccncc1
InChIInChI=1S/C14H24N2O/c1-4-8-16-14(7-11-17-12(2)3)13-5-9-15-10-6-13/h5-6,9-10,12,14,16H,4,7-8,11H2,1-3H3
InChIKeyRXRKSANZDUNILC-UHFFFAOYSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002189
N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine
CID 65457651
1-(4-propan-2-ylphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105144826
1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine
CID 106007749
N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43497092
1-(4-chlorophenyl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 115577081
1-cyclopropyl-N-propyl-3-pyridin-4-ylbutan-2-amine
CID 66447180
N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824684
N-[2-(furan-2-yl)-1-pyridin-4-ylethyl]propan-1-amine
CID 83175594
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine
CID 81035781
3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine
CID 115001497

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-propyl-1-pyridin-4-ylpropan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-propyl-1-pyridin-4-ylpropan-1-amine (CID 115001910) is 3-propan-2-yloxy-N-propyl-1-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-propyl-1-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-propyl-1-pyridin-4-ylpropan-1-amine is CCCNC(CCOC(C)C)c1ccncc1.
What is the InChIKey of 3-propan-2-yloxy-N-propyl-1-pyridin-4-ylpropan-1-amine?
The InChIKey is RXRKSANZDUNILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-8-16-14(7-11-17-12(2)3)13-5-9-15-10-6-13/h5-6,9-10,12,14,16H,4,7-8,11H2,1-3H3.
What are the key properties of 3-propan-2-yloxy-N-propyl-1-pyridin-4-ylpropan-1-amine?
3-propan-2-yloxy-N-propyl-1-pyridin-4-ylpropan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-propyl-1-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 115001910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).