4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine

C15H25N3O — CID 63233562

IUPAC4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine
SMILESCCCN(CCN1CCOCC1)c1ccc(N)cc1
InChIInChI=1S/C15H25N3O/c1-2-7-18(15-5-3-14(16)4-6-15)9-8-17-10-12-19-13-11-17/h3-6H,2,7-13,16H2,1H3
InChIKeyNQJZYLGNFCNFIP-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.82
Rot. Bonds6

About 4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine

4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine (PubChem CID 63233562) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine
PubChem CID63233562
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine
SMILESCCCN(CCN1CCOCC1)c1ccc(N)cc1
InChIInChI=1S/C15H25N3O/c1-2-7-18(15-5-3-14(16)4-6-15)9-8-17-10-12-19-13-11-17/h3-6H,2,7-13,16H2,1H3
InChIKeyNQJZYLGNFCNFIP-UHFFFAOYSA-N
XLogP1.82
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine 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

ethane;6-N-methyl-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine
CID 143533372
aniline;4-N,4-N-dipropylbenzene-1,4-diamine
CID 174806635
3-[N-(2-morpholin-4-ylethyl)anilino]propan-1-ol
CID 111543585
4-N-nonyl-4-N-propylbenzene-1,4-diamine
CID 63532780
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
2-N-methyl-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine
CID 59225426
ethane;molecular hydrogen;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340801
4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid
CID 60838256
4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 158025581
4-N-heptyl-4-N-hexylbenzene-1,4-diamine
CID 143490838
4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline
CID 170863447
N'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine
CID 43137359

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine (CID 63233562) is 4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine is CCCN(CCN1CCOCC1)c1ccc(N)cc1.
What is the InChIKey of 4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine?
The InChIKey is NQJZYLGNFCNFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-7-18(15-5-3-14(16)4-6-15)9-8-17-10-12-19-13-11-17/h3-6H,2,7-13,16H2,1H3.
What are the key properties of 4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine?
4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine has a molecular weight of 263.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine is sourced from PubChem (CID 63233562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).