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

C14H24N2O — CID 55058687

IUPACN-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine
SMILESCCCCCOc1cc(CNC(C)C)ccn1
InChIInChI=1S/C14H24N2O/c1-4-5-6-9-17-14-10-13(7-8-15-14)11-16-12(2)3/h7-8,10,12,16H,4-6,9,11H2,1-3H3
InChIKeyAGVYUGKFHGHEDT-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.15
Rot. Bonds8

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

N-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine (PubChem CID 55058687) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine
PubChem CID55058687
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine
SMILESCCCCCOc1cc(CNC(C)C)ccn1
InChIInChI=1S/C14H24N2O/c1-4-5-6-9-17-14-10-13(7-8-15-14)11-16-12(2)3/h7-8,10,12,16H,4-6,9,11H2,1-3H3
InChIKeyAGVYUGKFHGHEDT-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62292173
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
N-[[2-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62387269
N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62292365
N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine
CID 63498871
N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62297313
N-[(3-chloro-4-heptoxyphenyl)methyl]propan-2-amine
CID 63500122
N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62285974
N-[(3-bromo-4-octoxyphenyl)methyl]propan-2-amine
CID 63501051
N-[[2-[(2-fluorophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine
CID 63937965
N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine
CID 55058638
N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine
CID 62290047

Frequently Asked Questions

What is the IUPAC name of N-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine (CID 55058687) is N-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine is CCCCCOc1cc(CNC(C)C)ccn1.
What is the InChIKey of N-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine?
The InChIKey is AGVYUGKFHGHEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-5-6-9-17-14-10-13(7-8-15-14)11-16-12(2)3/h7-8,10,12,16H,4-6,9,11H2,1-3H3.
What are the key properties of N-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine?
N-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 55058687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).