(4-heptoxyquinolin-2-yl)methanamine

C17H24N2O — CID 63377719

IUPAC(4-heptoxyquinolin-2-yl)methanamine
SMILESCCCCCCCOc1cc(CN)nc2ccccc12
InChIInChI=1S/C17H24N2O/c1-2-3-4-5-8-11-20-17-12-14(13-18)19-16-10-7-6-9-15(16)17/h6-7,9-10,12H,2-5,8,11,13,18H2,1H3
InChIKeyRVYXWGXCGSMNDI-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.04
Rot. Bonds8

About (4-heptoxyquinolin-2-yl)methanamine

(4-heptoxyquinolin-2-yl)methanamine (PubChem CID 63377719) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (4-heptoxyquinolin-2-yl)methanamine.

Molecular Properties

Compound Name(4-heptoxyquinolin-2-yl)methanamine
PubChem CID63377719
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(4-heptoxyquinolin-2-yl)methanamine
SMILESCCCCCCCOc1cc(CN)nc2ccccc12
InChIInChI=1S/C17H24N2O/c1-2-3-4-5-8-11-20-17-12-14(13-18)19-16-10-7-6-9-15(16)17/h6-7,9-10,12H,2-5,8,11,13,18H2,1H3
InChIKeyRVYXWGXCGSMNDI-UHFFFAOYSA-N
XLogP4.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.04
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

4-pentoxyquinolin-2-amine
CID 118174578
4-butoxy-2-(chloromethyl)quinoline
CID 63375315
(4-phenylmethoxyquinolin-2-yl)methanamine
CID 63377220
(4-pentan-2-yloxyquinolin-2-yl)methanamine
CID 102985707
1-decoxyacridine
CID 159660851
3-(2-methylquinolin-4-yl)oxypropan-1-amine
CID 62349241
1,4-didodecoxynaphthalene
CID 21304164
2-[(4-hexoxyphenyl)methyl]quinolin-4-amine
CID 175093861
2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine
CID 90318958
2-(aminomethyl)-N,N-dibutylquinolin-4-amine
CID 63374040
[4-(2-methoxyethoxy)quinolin-2-yl]methanol
CID 63376021
2-octoxyquinoline-4-carbonitrile
CID 63885669

Frequently Asked Questions

What is the IUPAC name of (4-heptoxyquinolin-2-yl)methanamine?
The IUPAC name of (4-heptoxyquinolin-2-yl)methanamine (CID 63377719) is (4-heptoxyquinolin-2-yl)methanamine.
What is the SMILES notation for (4-heptoxyquinolin-2-yl)methanamine?
The canonical SMILES for (4-heptoxyquinolin-2-yl)methanamine is CCCCCCCOc1cc(CN)nc2ccccc12.
What is the InChIKey of (4-heptoxyquinolin-2-yl)methanamine?
The InChIKey is RVYXWGXCGSMNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-3-4-5-8-11-20-17-12-14(13-18)19-16-10-7-6-9-15(16)17/h6-7,9-10,12H,2-5,8,11,13,18H2,1H3.
What are the key properties of (4-heptoxyquinolin-2-yl)methanamine?
(4-heptoxyquinolin-2-yl)methanamine has a molecular weight of 272.39 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-heptoxyquinolin-2-yl)methanamine is sourced from PubChem (CID 63377719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).