N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine

C34H56N2O2 — CID 44531492

IUPACN-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine
SMILESCCCCCC(NCCCC)c1ccc(OCCOc2ccc(C(CCCCC)NCCCC)cc2)cc1
InChIInChI=1S/C34H56N2O2/c1-5-9-13-15-33(35-25-11-7-3)29-17-21-31(22-18-29)37-27-28-38-32-23-19-30(20-24-32)34(16-14-10-6-2)36-26-12-8-4/h17-24,33-36H,5-16,25-28H2,1-4H3
InChIKeyGLYDCQLYYHVEBW-UHFFFAOYSA-N
MW524.83 g/mol
LogP9.17
Rot. Bonds23

About N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine

N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine (PubChem CID 44531492) has the molecular formula C34H56N2O2 and a molecular weight of 524.83 g/mol. Its IUPAC name is N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine.

Molecular Properties

Compound NameN-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine
PubChem CID44531492
Molecular FormulaC34H56N2O2
Molecular Weight524.83 g/mol
Exact Mass524.43
IUPAC NameN-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine
SMILESCCCCCC(NCCCC)c1ccc(OCCOc2ccc(C(CCCCC)NCCCC)cc2)cc1
InChIInChI=1S/C34H56N2O2/c1-5-9-13-15-33(35-25-11-7-3)29-17-21-31(22-18-29)37-27-28-38-32-23-19-30(20-24-32)34(16-14-10-6-2)36-26-12-8-4/h17-24,33-36H,5-16,25-28H2,1-4H3
InChIKeyGLYDCQLYYHVEBW-UHFFFAOYSA-N
XLogP9.17
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.83
LogP ≤ 59.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826
1-(4-ethoxyphenyl)-N-propyloctan-1-amine
CID 43495169
N-ethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 79405246
1-(4-pentoxyphenyl)-N-propylpropan-1-amine
CID 43280171
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
1-(4-butoxyphenyl)pentylhydrazine
CID 105293831
1-(4-butoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 105083341
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751
N-pentyl-1-phenyldecan-1-amine
CID 10380274
1-(4-ethoxyphenyl)-N-methylheptan-1-amine
CID 114752328
N-ethyl-1-(4-hexoxyphenyl)propan-1-amine
CID 43280119
N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine
CID 65092226

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine?
The IUPAC name of N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine (CID 44531492) is N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine.
What is the SMILES notation for N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine?
The canonical SMILES for N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine is CCCCCC(NCCCC)c1ccc(OCCOc2ccc(C(CCCCC)NCCCC)cc2)cc1.
What is the InChIKey of N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine?
The InChIKey is GLYDCQLYYHVEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56N2O2/c1-5-9-13-15-33(35-25-11-7-3)29-17-21-31(22-18-29)37-27-28-38-32-23-19-30(20-24-32)34(16-14-10-6-2)36-26-12-8-4/h17-24,33-36H,5-16,25-28H2,1-4H3.
What are the key properties of N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine?
N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine has a molecular weight of 524.83 g/mol, XLogP of 9.17, 23 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine is sourced from PubChem (CID 44531492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).