N-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine

C14H22N2O — CID 106205338

IUPACN-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1OCCC1CC1
InChIInChI=1S/C14H22N2O/c1-2-8-15-11-13-4-3-9-16-14(13)17-10-7-12-5-6-12/h3-4,9,12,15H,2,5-8,10-11H2,1H3
InChIKeyXQYRUNOGEATTJV-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.76
Rot. Bonds8

About N-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 106205338) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID106205338
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1OCCC1CC1
InChIInChI=1S/C14H22N2O/c1-2-8-15-11-13-4-3-9-16-14(13)17-10-7-12-5-6-12/h3-4,9,12,15H,2,5-8,10-11H2,1H3
InChIKeyXQYRUNOGEATTJV-UHFFFAOYSA-N
XLogP2.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62292023
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63685132
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
N-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 62288582
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62284189
N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515582
N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine
CID 66226371
N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 62296510
2-(2-cyclopropylethoxy)pyridin-3-amine
CID 106199565
N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292572

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine (CID 106205338) is N-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cccnc1OCCC1CC1.
What is the InChIKey of N-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is XQYRUNOGEATTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-8-15-11-13-4-3-9-16-14(13)17-10-7-12-5-6-12/h3-4,9,12,15H,2,5-8,10-11H2,1H3.
What are the key properties of N-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106205338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).