N-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine

C26H46N2O2 — CID 19885256

IUPACN-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine
SMILESCCCCCCCCCOc1ccc(CCC(C)NCCCN2CCOCC2)cc1
InChIInChI=1S/C26H46N2O2/c1-3-4-5-6-7-8-9-21-30-26-15-13-25(14-16-26)12-11-24(2)27-17-10-18-28-19-22-29-23-20-28/h13-16,24,27H,3-12,17-23H2,1-2H3
InChIKeyMQLLOLVAQVQDRN-UHFFFAOYSA-N
MW418.67 g/mol
LogP5.45
Rot. Bonds17

About N-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine

N-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine (PubChem CID 19885256) has the molecular formula C26H46N2O2 and a molecular weight of 418.67 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine
PubChem CID19885256
Molecular FormulaC26H46N2O2
Molecular Weight418.67 g/mol
Exact Mass418.36
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine
SMILESCCCCCCCCCOc1ccc(CCC(C)NCCCN2CCOCC2)cc1
InChIInChI=1S/C26H46N2O2/c1-3-4-5-6-7-8-9-21-30-26-15-13-25(14-16-26)12-11-24(2)27-17-10-18-28-19-22-29-23-20-28/h13-16,24,27H,3-12,17-23H2,1-2H3
InChIKeyMQLLOLVAQVQDRN-UHFFFAOYSA-N
XLogP5.45
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-morpholin-4-ylpropyl)-4-(4-tetradecoxyphenyl)butan-2-amine;dihydrochloride
CID 19885294
N-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine;dihydrochloride
CID 19885255
N-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine
CID 19885135
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537
4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine
CID 80699637
1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 82073802
2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
CID 3087060
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717
N-[(4-butoxyphenyl)methyl]morpholin-4-amine
CID 83012107
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
4-(3-methylbutoxy)-N-(3-morpholin-4-ylpropyl)benzenecarbothioamide
CID 3038208
4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine
CID 43279821

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine (CID 19885256) is N-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine is CCCCCCCCCOc1ccc(CCC(C)NCCCN2CCOCC2)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine?
The InChIKey is MQLLOLVAQVQDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O2/c1-3-4-5-6-7-8-9-21-30-26-15-13-25(14-16-26)12-11-24(2)27-17-10-18-28-19-22-29-23-20-28/h13-16,24,27H,3-12,17-23H2,1-2H3.
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine?
N-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine has a molecular weight of 418.67 g/mol, XLogP of 5.45, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine is sourced from PubChem (CID 19885256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).