N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine

C17H30N2O — CID 81254076

IUPACN-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCCCCCCCOc1ccncc1CNCC(C)C
InChIInChI=1S/C17H30N2O/c1-4-5-6-7-8-11-20-17-9-10-18-13-16(17)14-19-12-15(2)3/h9-10,13,15,19H,4-8,11-12,14H2,1-3H3
InChIKeyOISUKZGWDUGVLR-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.18
Rot. Bonds11

About N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine

N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine (PubChem CID 81254076) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
PubChem CID81254076
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCCCCCCCOc1ccncc1CNCC(C)C
InChIInChI=1S/C17H30N2O/c1-4-5-6-7-8-11-20-17-9-10-18-13-16(17)14-19-12-15(2)3/h9-10,13,15,19H,4-8,11-12,14H2,1-3H3
InChIKeyOISUKZGWDUGVLR-UHFFFAOYSA-N
XLogP4.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.18
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-[(4-hexoxy-3-pyridinyl)methyl]ethanamine
CID 81255386
N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine
CID 107696863
N-[(5-chloro-2-heptoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63486010
2-methyl-N-[[4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 81253660
2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine
CID 63488126
N-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103490454
2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250459
N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 115505732
2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250243
1-[(2-heptoxyphenyl)methylamino]propan-2-ol
CID 54849266
N-methyl-1-(4-propoxy-3-pyridinyl)methanamine
CID 81255157
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393

Frequently Asked Questions

What is the IUPAC name of N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine (CID 81254076) is N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine is CCCCCCCOc1ccncc1CNCC(C)C.
What is the InChIKey of N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine?
The InChIKey is OISUKZGWDUGVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-5-6-7-8-11-20-17-9-10-18-13-16(17)14-19-12-15(2)3/h9-10,13,15,19H,4-8,11-12,14H2,1-3H3.
What are the key properties of N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine?
N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 4.18, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81254076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).