aniline;4-N,4-N-dipropylbenzene-1,4-diamine

C18H27N3 — CID 174806635

IUPACaniline;4-N,4-N-dipropylbenzene-1,4-diamine
SMILESCCCN(CCC)c1ccc(N)cc1.Nc1ccccc1
InChIInChI=1S/C12H20N2.C6H7N/c1-3-9-14(10-4-2)12-7-5-11(13)6-8-12;7-6-4-2-1-3-5-6/h5-8H,3-4,9-10,13H2,1-2H3;1-5H,7H2
InChIKeyDWXDJPITQVWYJT-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.16
Rot. Bonds5

About aniline;4-N,4-N-dipropylbenzene-1,4-diamine

aniline;4-N,4-N-dipropylbenzene-1,4-diamine (PubChem CID 174806635) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is aniline;4-N,4-N-dipropylbenzene-1,4-diamine.

Molecular Properties

Compound Nameaniline;4-N,4-N-dipropylbenzene-1,4-diamine
PubChem CID174806635
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Nameaniline;4-N,4-N-dipropylbenzene-1,4-diamine
SMILESCCCN(CCC)c1ccc(N)cc1.Nc1ccccc1
InChIInChI=1S/C12H20N2.C6H7N/c1-3-9-14(10-4-2)12-7-5-11(13)6-8-12;7-6-4-2-1-3-5-6/h5-8H,3-4,9-10,13H2,1-2H3;1-5H,7H2
InChIKeyDWXDJPITQVWYJT-UHFFFAOYSA-N
XLogP4.16
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 aniline;4-N,4-N-dipropylbenzene-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

4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
4-N-nonyl-4-N-propylbenzene-1,4-diamine
CID 63532780
N,N-dipropylaniline;ethane
CID 142135231
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
4-N-(2,2-difluoro-2-phenylethyl)-4-N-propylbenzene-1,4-diamine
CID 116789710
4-N-[3-[3-(4-amino-N-propylanilino)propyl-butylamino]propyl]-4-N-propylbenzene-1,4-diamine
CID 58794851
2-(4-amino-N-propylanilino)-N-phenylacetamide
CID 63233780
4-N-heptyl-4-N-hexylbenzene-1,4-diamine
CID 143490838
1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 18669796
4-[4-(dibutylamino)phenyl]aniline
CID 174369648
4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 63233710
4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine
CID 103180403

Frequently Asked Questions

What is the IUPAC name of aniline;4-N,4-N-dipropylbenzene-1,4-diamine?
The IUPAC name of aniline;4-N,4-N-dipropylbenzene-1,4-diamine (CID 174806635) is aniline;4-N,4-N-dipropylbenzene-1,4-diamine.
What is the SMILES notation for aniline;4-N,4-N-dipropylbenzene-1,4-diamine?
The canonical SMILES for aniline;4-N,4-N-dipropylbenzene-1,4-diamine is CCCN(CCC)c1ccc(N)cc1.Nc1ccccc1.
What is the InChIKey of aniline;4-N,4-N-dipropylbenzene-1,4-diamine?
The InChIKey is DWXDJPITQVWYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.C6H7N/c1-3-9-14(10-4-2)12-7-5-11(13)6-8-12;7-6-4-2-1-3-5-6/h5-8H,3-4,9-10,13H2,1-2H3;1-5H,7H2.
What are the key properties of aniline;4-N,4-N-dipropylbenzene-1,4-diamine?
aniline;4-N,4-N-dipropylbenzene-1,4-diamine has a molecular weight of 285.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;4-N,4-N-dipropylbenzene-1,4-diamine is sourced from PubChem (CID 174806635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).