N'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine

C14H23ClN2 — CID 10879673

IUPACN'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine
SMILESCC(C)(C)NCCCCNc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2/c1-14(2,3)17-11-5-4-10-16-13-8-6-12(15)7-9-13/h6-9,16-17H,4-5,10-11H2,1-3H3
InChIKeyUWOKIYWQPPOJRP-UHFFFAOYSA-N
MW254.81 g/mol
LogP3.92
Rot. Bonds6

About N'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine

N'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine (PubChem CID 10879673) has the molecular formula C14H23ClN2 and a molecular weight of 254.81 g/mol. Its IUPAC name is N'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine
PubChem CID10879673
Molecular FormulaC14H23ClN2
Molecular Weight254.81 g/mol
Exact Mass254.15
IUPAC NameN'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine
SMILESCC(C)(C)NCCCCNc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2/c1-14(2,3)17-11-5-4-10-16-13-8-6-12(15)7-9-13/h6-9,16-17H,4-5,10-11H2,1-3H3
InChIKeyUWOKIYWQPPOJRP-UHFFFAOYSA-N
XLogP3.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.81
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-Chlorophenyl)piperazine
CID 1355
4-Chloro-N-methylbenzenamine
CID 70272
1-(3-Chlorophenyl)piperazine monohydrochloride
CID 25681
1-(4-Chlorophenyl)piperazine
CID 97478
1-(2-Chlorophenyl)piperazine
CID 415628
1-(3-Chlorophenyl)piperazine dihydrochloride
CID 11957487
1-(4-Chlorophenyl)-2-methylpiperazine
CID 98289
4-Chloro-N,N-dimethylaniline
CID 136530
N-benzyl-4-chloroaniline
CID 76281
N-(4-chlorophenyl)-1-ethyl-4-piperidinamine
CID 868366
1-(4-Chlorophenyl)-4-hexylpiperazine
CID 3738741
5-Chloro-2-(4-methyl-1-piperazinyl)benzenamine
CID 2104082

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine?
The IUPAC name of N'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine (CID 10879673) is N'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine.
What is the SMILES notation for N'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine?
The canonical SMILES for N'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine is CC(C)(C)NCCCCNc1ccc(Cl)cc1.
What is the InChIKey of N'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine?
The InChIKey is UWOKIYWQPPOJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-14(2,3)17-11-5-4-10-16-13-8-6-12(15)7-9-13/h6-9,16-17H,4-5,10-11H2,1-3H3.
What are the key properties of N'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine?
N'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine has a molecular weight of 254.81 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine is sourced from PubChem (CID 10879673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).