6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine

C29H51N3O2 — CID 118576144

IUPAC6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine
SMILESCCCCOCCCCCCN.CCCCOCCCCCCNc1ccnc2ccccc12
InChIInChI=1S/C19H28N2O.C10H23NO/c1-2-3-15-22-16-9-5-4-8-13-20-19-12-14-21-18-11-7-6-10-17(18)19;1-2-3-9-12-10-7-5-4-6-8-11/h6-7,10-12,14H,2-5,8-9,13,15-16H2,1H3,(H,20,21);2-11H2,1H3
InChIKeyARADSIVELGZUSZ-UHFFFAOYSA-N
MW473.75 g/mol
LogP7.35
Rot. Bonds20

About 6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine

6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine (PubChem CID 118576144) has the molecular formula C29H51N3O2 and a molecular weight of 473.75 g/mol. Its IUPAC name is 6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine.

Molecular Properties

Compound Name6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine
PubChem CID118576144
Molecular FormulaC29H51N3O2
Molecular Weight473.75 g/mol
Exact Mass473.40
IUPAC Name6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine
SMILESCCCCOCCCCCCN.CCCCOCCCCCCNc1ccnc2ccccc12
InChIInChI=1S/C19H28N2O.C10H23NO/c1-2-3-15-22-16-9-5-4-8-13-20-19-12-14-21-18-11-7-6-10-17(18)19;1-2-3-9-12-10-7-5-4-6-8-11/h6-7,10-12,14H,2-5,8-9,13,15-16H2,1H3,(H,20,21);2-11H2,1H3
InChIKeyARADSIVELGZUSZ-UHFFFAOYSA-N
XLogP7.35
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.75
LogP ≤ 57.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-quinolin-4-ylpentane-1,5-diamine
CID 107323516
N-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide
CID 90319067
N-hexyl-8-methoxyquinolin-4-amine;8-methoxy-N-(4-methoxybutyl)quinolin-4-amine;8-methoxy-N-(6-methoxyhexyl)quinolin-4-amine;N-(5-methoxypentyl)quinolin-4-amine
CID 159618748
4-N-(3-butoxypropyl)quinoline-4,7-diamine
CID 103001799
N-(5-chloropentyl)quinolin-4-amine
CID 107320544
N-methyl-N'-quinolin-4-ylethane-1,2-diamine
CID 62658935
N-(2-butoxyethyl)-7-chloroquinolin-4-amine
CID 61175681
methyl 6-(quinolin-4-ylamino)hexanoate
CID 62005474
N-(3-butoxypropyl)-2-methylquinolin-4-amine
CID 112810282
N-ethylquinolin-4-amine
CID 15306588
N-(2-cyclopentyloxyethyl)quinolin-4-amine
CID 55261266
N-butyl-7-chloroquinolin-4-amine
CID 10037042

Frequently Asked Questions

What is the IUPAC name of 6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine?
The IUPAC name of 6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine (CID 118576144) is 6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine.
What is the SMILES notation for 6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine?
The canonical SMILES for 6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine is CCCCOCCCCCCN.CCCCOCCCCCCNc1ccnc2ccccc12.
What is the InChIKey of 6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine?
The InChIKey is ARADSIVELGZUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.C10H23NO/c1-2-3-15-22-16-9-5-4-8-13-20-19-12-14-21-18-11-7-6-10-17(18)19;1-2-3-9-12-10-7-5-4-6-8-11/h6-7,10-12,14H,2-5,8-9,13,15-16H2,1H3,(H,20,21);2-11H2,1H3.
What are the key properties of 6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine?
6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine has a molecular weight of 473.75 g/mol, XLogP of 7.35, 20 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine is sourced from PubChem (CID 118576144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).