N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine

C17H31N3O — CID 115505732

IUPACN-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C17H31N3O/c1-6-8-18-12-16-13-19-9-7-17(16)21-11-10-20(14(2)3)15(4)5/h7,9,13-15,18H,6,8,10-12H2,1-5H3
InChIKeyHEFWDAFAKUSPQG-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.08
Rot. Bonds10

About N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine

N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine (PubChem CID 115505732) 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-1-amine.

Molecular Properties

Compound NameN-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine
PubChem CID115505732
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C17H31N3O/c1-6-8-18-12-16-13-19-9-7-17(16)21-11-10-20(14(2)3)15(4)5/h7,9,13-15,18H,6,8,10-12H2,1-5H3
InChIKeyHEFWDAFAKUSPQG-UHFFFAOYSA-N
XLogP3.08
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
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

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 115505738
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184
N-[[4-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82957136
N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 81254076
N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine
CID 81255386
N-[[4-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-1-amine
CID 82832297
N-methyl-1-(4-propoxy-3-pyridinyl)methanamine
CID 81255157
N-methyl-N-(2-propan-2-yloxyethyl)-3-(propylaminomethyl)pyridin-4-amine
CID 81247408
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105074907
2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine
CID 81255020
N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251065
N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253728

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine (CID 115505732) is N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnccc1OCCN(C(C)C)C(C)C.
What is the InChIKey of N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is HEFWDAFAKUSPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-8-18-12-16-13-19-9-7-17(16)21-11-10-20(14(2)3)15(4)5/h7,9,13-15,18H,6,8,10-12H2,1-5H3.
What are the key properties of N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine?
N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.08, 10 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-1-amine is sourced from PubChem (CID 115505732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).