4-N,4-N-dipropylbenzene-1,4-diamine

C12H20N2 — CID 10219779

IUPAC4-N,4-N-dipropylbenzene-1,4-diamine
SMILESCCCN(CCC)c1ccc(N)cc1
InChIInChI=1S/C12H20N2/c1-3-9-14(10-4-2)12-7-5-11(13)6-8-12/h5-8H,3-4,9-10,13H2,1-2H3
InChIKeyUOWYGPTYSRURDP-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.90
Rot. Bonds5

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

4-N,4-N-dipropylbenzene-1,4-diamine (PubChem CID 10219779) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-N,4-N-dipropylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dipropylbenzene-1,4-diamine
PubChem CID10219779
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-N,4-N-dipropylbenzene-1,4-diamine
SMILESCCCN(CCC)c1ccc(N)cc1
InChIInChI=1S/C12H20N2/c1-3-9-14(10-4-2)12-7-5-11(13)6-8-12/h5-8H,3-4,9-10,13H2,1-2H3
InChIKeyUOWYGPTYSRURDP-UHFFFAOYSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.90
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

aniline;4-N,4-N-dipropylbenzene-1,4-diamine
CID 174806635
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
4-N-[3-[3-(4-amino-N-propylanilino)propyl-butylamino]propyl]-4-N-propylbenzene-1,4-diamine
CID 58794851
4-N-heptyl-4-N-hexylbenzene-1,4-diamine
CID 143490838
4-[4-(dibutylamino)phenyl]aniline
CID 174369648
4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine
CID 103180403
4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine
CID 65477008
4-N,4-N-bis(2-aminoethyl)benzene-1,4-diamine
CID 143552121
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine
CID 63233562
4-N-[(3,5-difluorophenyl)methyl]-4-N-propylbenzene-1,4-diamine
CID 105404060

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dipropylbenzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dipropylbenzene-1,4-diamine (CID 10219779) is 4-N,4-N-dipropylbenzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dipropylbenzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dipropylbenzene-1,4-diamine is CCCN(CCC)c1ccc(N)cc1.
What is the InChIKey of 4-N,4-N-dipropylbenzene-1,4-diamine?
The InChIKey is UOWYGPTYSRURDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-9-14(10-4-2)12-7-5-11(13)6-8-12/h5-8H,3-4,9-10,13H2,1-2H3.
What are the key properties of 4-N,4-N-dipropylbenzene-1,4-diamine?
4-N,4-N-dipropylbenzene-1,4-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dipropylbenzene-1,4-diamine is sourced from PubChem (CID 10219779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).