4-N-nonyl-4-N-propylbenzene-1,4-diamine

C18H32N2 — CID 63532780

IUPAC4-N-nonyl-4-N-propylbenzene-1,4-diamine
SMILESCCCCCCCCCN(CCC)c1ccc(N)cc1
InChIInChI=1S/C18H32N2/c1-3-5-6-7-8-9-10-16-20(15-4-2)18-13-11-17(19)12-14-18/h11-14H,3-10,15-16,19H2,1-2H3
InChIKeyDXCMOAGWMYUGRM-UHFFFAOYSA-N
MW276.47 g/mol
LogP5.24
Rot. Bonds11

About 4-N-nonyl-4-N-propylbenzene-1,4-diamine

4-N-nonyl-4-N-propylbenzene-1,4-diamine (PubChem CID 63532780) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4-N-nonyl-4-N-propylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-nonyl-4-N-propylbenzene-1,4-diamine
PubChem CID63532780
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-N-nonyl-4-N-propylbenzene-1,4-diamine
SMILESCCCCCCCCCN(CCC)c1ccc(N)cc1
InChIInChI=1S/C18H32N2/c1-3-5-6-7-8-9-10-16-20(15-4-2)18-13-11-17(19)12-14-18/h11-14H,3-10,15-16,19H2,1-2H3
InChIKeyDXCMOAGWMYUGRM-UHFFFAOYSA-N
XLogP5.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-heptyl-4-N-hexylbenzene-1,4-diamine
CID 143490838
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
4-N-[3-[3-(4-amino-N-propylanilino)propyl-butylamino]propyl]-4-N-propylbenzene-1,4-diamine
CID 58794851
4-[4-(dibutylamino)phenyl]aniline
CID 174369648
4-(aminomethyl)-N-octyl-N-propylaniline
CID 43275934
4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine
CID 18942806
aniline;4-N,4-N-dipropylbenzene-1,4-diamine
CID 174806635
N,N-diheptyl-4-methylaniline
CID 20558578
2-N,2-N-dioctadecylanthracene-2,6-diamine
CID 139601167
3-N,3-N-dioctadecylbenzene-1,3,5-triamine
CID 71347082
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923

Frequently Asked Questions

What is the IUPAC name of 4-N-nonyl-4-N-propylbenzene-1,4-diamine?
The IUPAC name of 4-N-nonyl-4-N-propylbenzene-1,4-diamine (CID 63532780) is 4-N-nonyl-4-N-propylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-nonyl-4-N-propylbenzene-1,4-diamine?
The canonical SMILES for 4-N-nonyl-4-N-propylbenzene-1,4-diamine is CCCCCCCCCN(CCC)c1ccc(N)cc1.
What is the InChIKey of 4-N-nonyl-4-N-propylbenzene-1,4-diamine?
The InChIKey is DXCMOAGWMYUGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-3-5-6-7-8-9-10-16-20(15-4-2)18-13-11-17(19)12-14-18/h11-14H,3-10,15-16,19H2,1-2H3.
What are the key properties of 4-N-nonyl-4-N-propylbenzene-1,4-diamine?
4-N-nonyl-4-N-propylbenzene-1,4-diamine has a molecular weight of 276.47 g/mol, XLogP of 5.24, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-nonyl-4-N-propylbenzene-1,4-diamine is sourced from PubChem (CID 63532780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).