N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine

C14H21ClN2O — CID 114928877

IUPACN-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine
SMILESC=CCCCOc1cc(CNCCC)c(Cl)cn1
InChIInChI=1S/C14H21ClN2O/c1-3-5-6-8-18-14-9-12(10-16-7-4-2)13(15)11-17-14/h3,9,11,16H,1,4-8,10H2,2H3
InChIKeyLIDUJPMBLGOZDA-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.58
Rot. Bonds9

About N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine

N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine (PubChem CID 114928877) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine
PubChem CID114928877
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine
SMILESC=CCCCOc1cc(CNCCC)c(Cl)cn1
InChIInChI=1S/C14H21ClN2O/c1-3-5-6-8-18-14-9-12(10-16-7-4-2)13(15)11-17-14/h3,9,11,16H,1,4-8,10H2,2H3
InChIKeyLIDUJPMBLGOZDA-UHFFFAOYSA-N
XLogP3.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine
CID 114927751
N-[[5-chloro-2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114929138
N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine
CID 114927711
N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine
CID 81250411
N-[(2-butoxy-5-chloro-4-pyridinyl)methyl]propan-2-amine
CID 114927879
N-[[5-chloro-2-(2-chloro-5-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928457
N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928120
N-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928202
N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine
CID 114927869
N-[(6-but-3-enoxy-3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 62289677
2-butoxy-5-chloro-4-(chloromethyl)pyridine
CID 114921209
5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926916

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine (CID 114928877) is N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine is C=CCCCOc1cc(CNCCC)c(Cl)cn1.
What is the InChIKey of N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is LIDUJPMBLGOZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-5-6-8-18-14-9-12(10-16-7-4-2)13(15)11-17-14/h3,9,11,16H,1,4-8,10H2,2H3.
What are the key properties of N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine?
N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 268.79 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 114928877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).