1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine

C18H32N2 — CID 70004923

IUPAC1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
SMILESCCCN(CCC)c1ccc(N(CCC)CCC)cc1
InChIInChI=1S/C18H32N2/c1-5-13-19(14-6-2)17-9-11-18(12-10-17)20(15-7-3)16-8-4/h9-12H,5-8,13-16H2,1-4H3
InChIKeySGRRLTAWZGNUQT-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.94
Rot. Bonds10

About 1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine

1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine (PubChem CID 70004923) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
PubChem CID70004923
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
SMILESCCCN(CCC)c1ccc(N(CCC)CCC)cc1
InChIInChI=1S/C18H32N2/c1-5-13-19(14-6-2)17-9-11-18(12-10-17)20(15-7-3)16-8-4/h9-12H,5-8,13-16H2,1-4H3
InChIKeySGRRLTAWZGNUQT-UHFFFAOYSA-N
XLogP4.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-methyl-N,N-dipropylaniline
CID 143993396
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
4-bromo-N,N-dipropylaniline
CID 10445113
N,N-dipropylaniline;ethane
CID 142135231
(1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine
CID 67291446
N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine
CID 58662077
aniline;4-N,4-N-dipropylbenzene-1,4-diamine
CID 174806635
1-chloro-4-methylbenzene;4-methyl-N,N-dipropylaniline
CID 142864428
N,N-dipropylpyridin-4-amine;hydrochloride
CID 141442378
4-(dipropylamino)benzenesulfinic acid
CID 155424665
1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 18669796
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine (CID 70004923) is 1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine is CCCN(CCC)c1ccc(N(CCC)CCC)cc1.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine?
The InChIKey is SGRRLTAWZGNUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-13-19(14-6-2)17-9-11-18(12-10-17)20(15-7-3)16-8-4/h9-12H,5-8,13-16H2,1-4H3.
What are the key properties of 1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine?
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.94, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine is sourced from PubChem (CID 70004923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).